diff options
Diffstat (limited to 'Physical_Chemsitry_by_William_F_Sheehan')
14 files changed, 6583 insertions, 0 deletions
diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_1.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_1.ipynb new file mode 100755 index 00000000..ca5fb73c --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_1.ipynb @@ -0,0 +1,533 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:1833f0f72d4fcfdfc05d274c870f8929bea706e80b14f9268d3407df8540de4d"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 1 - Kinetic theory of gases and equations of state"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - Pg 5"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the final volume of the gas\n",
+ "#initialisation of variables\n",
+ "V= 22.394 #l\n",
+ "m= 32 #gm\n",
+ "T= 0 #C\n",
+ "T1= 50. #C\n",
+ "p= .8 #atm\n",
+ "#CALCULATIONS\n",
+ "V1= (T1+273.16)*V/(T+273.16)\n",
+ "V2= (1./p)*V1\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Volume = ',V2,'lt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Volume = 33.116 lt\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - Pg 7"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate gthe argon temperature\n",
+ "#initialisation of variables\n",
+ "P= 1 #atm\n",
+ "T= 0 #C\n",
+ "#CALCULATIONS\n",
+ "T1= 10*(T+273.2)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' %(' Argon temperature =',T1,' K')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Argon temperature = 2732.0 K\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - Pg 9"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Atomic Weight\n",
+ "#initialisation of variables\n",
+ "x= 0.0820544\n",
+ "T= 0 #C\n",
+ "l= 1.7826 #gl^-1atm^-1\n",
+ "#CALCULATIONS\n",
+ "M= x*(273.16+T)*l\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Atomic Weight =',M,'gm mole^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Atomic Weight = 39.955 gm mole^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - Pg 11"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Molecular weight and molecular formula\n",
+ "#initialisation of variables\n",
+ "g=.270 #g\n",
+ "R=0.08205\n",
+ "T=296.4 #K\n",
+ "P=754.6/760.0 #atm\n",
+ "V=0.03576 #lt\n",
+ "m1= 12\n",
+ "m2= 19\n",
+ "m3= 35.46\n",
+ "yx=.57\n",
+ "#CALCULATIONS\n",
+ "M1=g*R*T/(P*V)\n",
+ "y=round(yx*M1/m3)\n",
+ "n=round((M1-m3*y+m2)/(2*m2+m1))\n",
+ "x=2*n-1\n",
+ "M= n*m1+x*m2+y*m3\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' %('Approximate molecular weight = ',M1,\"gms\")\n",
+ "print '%s %.2f %s' % (' Molecular weight =',M,' gms')\n",
+ "print '%s %d %s %d %s %d' %('Molecular formula is C',n,'F',x,'Cl',y)"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Approximate molecular weight = 184.94 gms\n",
+ " Molecular weight = 187.38 gms\n",
+ "Molecular formula is C 2 F 3 Cl 3\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - Pg 14"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure in both cases\n",
+ "#initialisation of variables\n",
+ "n= 10 #moles\n",
+ "R= 0.08205 #atml/molK\n",
+ "T= 300 #K\n",
+ "V= 4.86 #l\n",
+ "b= 0.0643 #ml mol**-1\n",
+ "a= 5.44 #l**2\n",
+ "#CALCULATIONS\n",
+ "P= n*R*T/V\n",
+ "P1= (n*R*T/(V-n*b))-(a*n**2/V**2)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Pressure in case of perfect gas law=',P,' atm')\n",
+ "print '%s %.1f %s' % (' \\n Pressure in case of vanderwaals equation =',P1,' atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Pressure in case of perfect gas law= 50.6 atm\n",
+ " \n",
+ " Pressure in case of vanderwaals equation = 35.3 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - Pg 20"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure of the gas\n",
+ "#initialisation of variables\n",
+ "n= 10 #moles\n",
+ "T= 300 #K\n",
+ "V= 4.86 #l\n",
+ "R= 0.08205 #atml/molK\n",
+ "v= 0.1417 #l\n",
+ "T1= 305.7 #K\n",
+ "#CALCULATIONS\n",
+ "b= v/2\n",
+ "a= 2*v*R*T1\n",
+ "P= ((n*R*T)/(V-n*b))*2.71**(-a*n/(V*R*T))\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Pressure =',P,' atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Pressure = 32.8 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - Pg 23"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the root mean square velocity\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "from math import sqrt\n",
+ "T= 0 #C\n",
+ "T1= 100 #C\n",
+ "R= 8.314 #atm lit/mol K\n",
+ "n= 3\n",
+ "M= 2.016 #gm\n",
+ "M1= 28.02 #gm\n",
+ "M2= 146.1 #gm\n",
+ "#CALCULATIONS\n",
+ "u= sqrt(n*R*10**7*(T+273.2)/M)\n",
+ "u1= sqrt(n*R*10**7*(T+273.2)/M1)\n",
+ "u2= sqrt(n*R*10**7*(T+273.2)/M2)\n",
+ "u3= sqrt(n*R*10**7*(T1+273.2)/M)\n",
+ "u4= sqrt(n*R*10**7*(T1+273.2)/M1)\n",
+ "u5= sqrt(n*R*10**7*(T1+273.2)/M2)\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' root mean square velocity of H2 at 0 C =',u*10**-4,' cm/sec')\n",
+ "print '%s %.3f %s' % (' \\n root mean square velocity of N2 at 0 C=',u1*10**-4,' cm/sec')\n",
+ "print '%s %.3f %s' % (' \\n root mean square velocity of SF6 at 0 C =',u2*10**-4,'cm/sec')\n",
+ "print '%s %.2f %s' % (' \\n root mean square velocity of H2 at 100 C =',u3*10**-4,' cm/sec')\n",
+ "print '%s %.3f %s' % (' \\n root mean square velocity of N2 at 100 C =',u4*10**-4,' cm/sec')\n",
+ "print '%s %.3f %s' % (' \\n root mean square velocity of SF6 at 100 C =',u5*10**-4,' cm/sec')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " root mean square velocity of H2 at 0 C = 18.38 cm/sec\n",
+ " \n",
+ " root mean square velocity of N2 at 0 C= 4.931 cm/sec\n",
+ " \n",
+ " root mean square velocity of SF6 at 0 C = 2.160 cm/sec\n",
+ " \n",
+ " root mean square velocity of H2 at 100 C = 21.49 cm/sec\n",
+ " \n",
+ " root mean square velocity of N2 at 100 C = 5.764 cm/sec\n",
+ " \n",
+ " root mean square velocity of SF6 at 100 C = 2.524 cm/sec\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - Pg 34"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the no. of collisions in He and N2\n",
+ "#Initialisation of variables\n",
+ "import math\n",
+ "from math import sqrt\n",
+ "P= 1 #at,\n",
+ "T= 300 #K\n",
+ "R= 82.05 #atm l/mol K\n",
+ "R1= 8.314\n",
+ "s= 4*10**-8 #cm\n",
+ "s1= 2*10**-8 #cm\n",
+ "m= 4 #gm\n",
+ "m1= 28 #gm\n",
+ "#CALCULATIONS\n",
+ "N= P*6.02*10**23/(R*T)\n",
+ "n= 2*s1**2*N**2*sqrt(math.pi*R1*10**7*T/m)\n",
+ "n1= 2*s**2*N**2*sqrt(math.pi*R1*10**7*T/m1)\n",
+ "#RESULTS\n",
+ "print '%s %.e %s' % (' no of collisions =',n,'collisions sec^-1 mol^-1')\n",
+ "print '%s %.2e %s' % (' \\n no of collisions =',n1,' collisions sec^-1 mol^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " no of collisions = 7e+28 collisions sec^-1 mol^-1\n",
+ " \n",
+ " no of collisions = 1.01e+29 collisions sec^-1 mol^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - Pg 36"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the viscosity of N2\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "from math import sqrt\n",
+ "M= 28 #gm\n",
+ "R= 8.314*10**7 #atm l/mol K\n",
+ "N= 6.023*10**23\n",
+ "T= 300 #K\n",
+ "s= 4*10**-8#cm\n",
+ "#CALCULATIONS\n",
+ "m= M/N\n",
+ "k= R/N\n",
+ "n= (5./16.)*sqrt(math.pi*m*k*T)/(math.pi*s**2)\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' viscosity =',n,'poise')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " viscosity = 1.53e-04 poise\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - Pg 45"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Increase in energy per degree for 1 mole of gas\n",
+ "#initialisation of variables\n",
+ "n= 3\n",
+ "R= 2 #cal mol^-1 deg^-1\n",
+ "#CALCULATIONS\n",
+ "I= n*R\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' %(' Increase in energy =',I,'cal mol^-1 deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Increase in energy = 6.0 cal mol^-1 deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - Pg 51"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Dipole moment and percentage of ionic character\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "k= 1.38*10**-16\n",
+ "N= 6*10**23 #molecules\n",
+ "a= 105 #degrees\n",
+ "l= 0.957 #A\n",
+ "e= 4.8*10**-10 #ev\n",
+ "#CALCULATIONS\n",
+ "u= math.sqrt(9*k*2.08*10**4/(4*math.pi*N))\n",
+ "uh= u/(2*math.cos(a*math.pi/180/2.))\n",
+ "z= uh/(l*e*10**-8) \n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' Dipole moment of H2O=',u,'e.s.u.cm')\n",
+ "print '%s %.2e %s' % (' \\n Dipole moment of OH bond =',uh,'e.s.u.cm')\n",
+ "print '%s %.2f' % (' \\n fraction of ionic character =',z)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Dipole moment of H2O= 1.85e-18 e.s.u.cm\n",
+ " \n",
+ " Dipole moment of OH bond = 1.52e-18 e.s.u.cm\n",
+ " \n",
+ " fraction of ionic character = 0.33\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - Pg 52"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the dielectric constant\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "u= 1.44*10**-18 #e.s.u\n",
+ "k= 3.8*10**-16 \n",
+ "T= 273. #k\n",
+ "N= 6.023*10**23 #molecules\n",
+ "v= 6. #cc\n",
+ "Vm= 44.8*10**3 #cc\n",
+ "#CALCULATIONS\n",
+ "Pm= v+(4*math.pi*N*u**2/(3*3*k*T))\n",
+ "r= Pm/Vm\n",
+ "k= (2*r+1)/(1-r)\n",
+ "#RESULTS\n",
+ "print '%s %.5f' % (' dielectric constant =',k)\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " dielectric constant = 1.00153\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_10.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_10.ipynb new file mode 100755 index 00000000..4ee0e2f1 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_10.ipynb @@ -0,0 +1,635 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:a8663b753e53365cf46aa7f5948fd23b365bccc405a9c5b9305fa79e49b0f6dc"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 10 - Chemical Kinetics"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 543"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Pressure \n",
+ "#initialisation of variables\n",
+ "t= 3 #sec\n",
+ "P0= 200 #mm\n",
+ "k= 17.3 #mm/sec\n",
+ "P1= 104 #mm\n",
+ "#CALCULATIONS\n",
+ "P= P0-k*t\n",
+ "P2= P+P1\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Pressure=',P2,' mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Pressure= 252 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 545"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Half time\n",
+ "#initialisation of variables\n",
+ "k= 2.63*10**-3 #min^-1\n",
+ "#CALCULATIONS\n",
+ "t1= 0.693/k\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Half time=',t1,'min')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Half time= 263.5 min\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 546"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Partial Pressure of the reactant\n",
+ "#initialisation of variables\n",
+ "P= 200. #mm\n",
+ "t= 30. #min\n",
+ "k= 2.5*10**-4 #sec^-1\n",
+ "#CALCULATIONS\n",
+ "P0= P/(10**(k*t*60/2.303))\n",
+ "P1= P-P0\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Partial Pressure of reactant=',P1,'mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Partial Pressure of reactant= 72 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 548"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the no of atoms\n",
+ "#initialisation of variables\n",
+ "t= 5600*365*24*60.\n",
+ "x= 5 #atoms\n",
+ "#CALCULATIONS\n",
+ "k= 0.693/t\n",
+ "N= x/k\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' No of atoms=',N, 'atoms')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " No of atoms= 2.12e+10 atoms\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 548"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the time passed\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "t= 5600 #sec\n",
+ "r= 0.256\n",
+ "#CALCULATIONS\n",
+ "t1= (t/0.693)*2.303*math.log10(1/r)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Time=',t1,'years ago')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Time= 11012 years ago\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 549"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the first order rate constant and half life\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "t= 25.1 #hr\n",
+ "C= 0.004366 \n",
+ "C1= 0.002192\n",
+ "C2= 0.006649\n",
+ "#CALCULATIONS\n",
+ "r= (C-C1)/(C2-C1)\n",
+ "k= 2.303*math.log10(1/r)/t\n",
+ "t1= 0.693/k\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' %(' Time=',t1,' hr')\n",
+ "print '%s %.2e %s' %(' Time=',k,' hr')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Time= 24.2 hr\n",
+ " Time= 2.86e-02 hr\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 552"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Rate constant\n",
+ "#initialisation of variables\n",
+ "s= 18.6*10**4 #mm of hg\n",
+ "#CALCULATIONS\n",
+ "k= 1./s\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' Rate constant=',k,' (mm Hg)^-1 sec^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Rate constant= 5.38e-06 (mm Hg)^-1 sec^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 552"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the requried Pressure\n",
+ "#initialisation of variables\n",
+ "k= 1.14*10**-4 #sec^-1\n",
+ "k1= 5.38*10**-6 #sec^-1\n",
+ "#CALCULATIONS\n",
+ "P= k/k1\n",
+ "P2=0.01*P\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Pressure=',P2,'mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Pressure= 0.212 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 555"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the no of molecules\n",
+ "#initialisation of variables\n",
+ "T= 600 #K\n",
+ "P= 1 #atm\n",
+ "R= 0.082 #atm lit/mol K\n",
+ "#CALCULATIONS\n",
+ "C= P/(R*T)\n",
+ "r= C**2*4*10**-6 \n",
+ "r1= 6*10**23*r\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' No of molecules=',r1,'molecules l^-1 sec^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " No of molecules= 9.9e+14 molecules l^-1 sec^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 555"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the time required\n",
+ "#initialisation of variables\n",
+ "k= 6.3*10**2 #ml mole^-1 sec^-1\n",
+ "P= 400. #mm\n",
+ "T= 600. #K\n",
+ "R= 82.06\n",
+ "#CALCULATIONS\n",
+ "C= (P/760.)/(R*T)\n",
+ "t= 1/(9.*C*k)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' time=',t,' sec')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " time= 16.5 sec\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 556"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure of No2 in both cases\n",
+ "#initialisation of variables\n",
+ "pf2= 2.00 #mm Hg\n",
+ "y= 0.96 #mm Hg\n",
+ "Pn= 5 #mm Hg\n",
+ "#CALCULATIONS\n",
+ "pF2= pf2-y\n",
+ "pNO2= Pn-2*y\n",
+ "pNO2F= 2*y\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' pressure of NO2=',pNO2,'mm of Hg')\n",
+ "print '%s %.2f %s' % (' \\n pressure of NO2 after 30 sec=',pNO2F,'mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " pressure of NO2= 3.08 mm of Hg\n",
+ " \n",
+ " pressure of NO2 after 30 sec= 1.92 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 561"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Rate constant\n",
+ "#initialisation of variables\n",
+ "k= 4*10**-6 #mol^-1 sec^-1\n",
+ "Kc= 73\n",
+ "#CALCULATIONS\n",
+ "K1= k*Kc/2\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' Rate constant=',K1,'l mol^-1 sec^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Rate constant= 1.46e-04 l mol^-1 sec^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - pg 568"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the activation energy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "R= 1.987 #atm lit/mol K\n",
+ "T= 573.2 #K\n",
+ "T1= 594.6 #K\n",
+ "k= 3.95*10**-6 #mol^-1 sec^-1\n",
+ "k1= 1.07*10**-6 #mol^-1 sec^-1\n",
+ "#CALCULATIONS\n",
+ "H= R*T*T1*2.303*math.log10((k/k1))/(T1-T)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' %(' activation energy=',H,'calmol^-1')\n",
+ "print 'The answers in the texbook are a bit different due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " activation energy= 41338 calmol^-1\n",
+ "The answers in the texbook are a bit different due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 15 - pg 568"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the time required\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "H= 41300. #cal\n",
+ "T= 673. #K\n",
+ "T1= 595. #K\n",
+ "R= 1.987 #cal/mol K\n",
+ "K= 3.95*10**-6\n",
+ "P= 1 #atm\n",
+ "R1= 0.08205 #j/mol K\n",
+ "#CALCULATIONS\n",
+ "k2= math.e**(H*(T-T1)/(R*T*T1))*K\n",
+ "C= P/(R1*T)\n",
+ "t= 44.8/C\n",
+ "t2=R1*T*10**-2 /k2\n",
+ "#RESULTS\n",
+ "print '%s %d %s' %(' time =',t,'sec')\n",
+ "print '%s %d %s' %('Time required in case 2 = ',t2,'sec')\n",
+ "print 'The answers in the texbook are a bit different due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " time = 2473 sec\n",
+ "Time required in case 2 = 2438 sec\n",
+ "The answers in the texbook are a bit different due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 569"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the collision diameter\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "H= 41300.\n",
+ "R= 1.987 #atm lit/mol K\n",
+ "T= 595. #K\n",
+ "M= 128. #gm\n",
+ "R1= 8.314*10**7 #atm lit/mol K\n",
+ "N= 6.02*10**23 #moleccules\n",
+ "k= 3.95*10**-6 #sec**-1\n",
+ "#CALCULATIONS\n",
+ "s= math.sqrt((k*10**3/(4*N))*(128/(math.pi*R1*T))**0.5*math.e**(H/(R*T)))\n",
+ "#RESULTS\n",
+ "print '%s %.3e %s' % (' collision diameter=',s,' cm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " collision diameter= 8.356e-09 cm\n"
+ ]
+ }
+ ],
+ "prompt_number": 17
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 577"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Concentration of A and B\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "import numpy\n",
+ "from numpy import linalg\n",
+ "p= 20.3 #percent\n",
+ "p1= 1.77 #percent\n",
+ "I= 100.\n",
+ "n= 2.\n",
+ "l= 300. #l mol^-1 cm^-1\n",
+ "l1= 30. #l mol^-1 cm^-1\n",
+ "l2= 10. #l mol^-1 cm^-1\n",
+ "l3= 200. #l mol^-1 cm^-1\n",
+ "#CALCULATIONS\n",
+ "A= ([[n*l, n*l1],[n*l2, n*l3]])\n",
+ "b= ([[math.log10(I/p1)],[math.log10(I/p)]])\n",
+ "c= numpy.dot(numpy.linalg.inv(A),b)\n",
+ "R1=c[0]\n",
+ "R2=c[1]\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' Concentration of A =',R1,' mole l^-1')\n",
+ "print '%s %.2e %s' % (' \\n Concentration of B =',R2,' mole l^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Concentration of A = 2.76e-03 mole l^-1\n",
+ " \n",
+ " Concentration of B = 1.59e-03 mole l^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 18
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_2.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_2.ipynb new file mode 100755 index 00000000..0dbb438a --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_2.ipynb @@ -0,0 +1,438 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:9cfae4f7a986d325f2eab7e6f5652e4123a3be0877578166dbb4520edb5ed59f"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 2 - Structures of Condensed Phases"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 74"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the size of cubic unit cell\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "l= 1.5418 #A\n",
+ "a= 19.076 #degrees\n",
+ "d2= 1.444 #A\n",
+ "#CALCULATIONS\n",
+ "d= l/(2*math.sin(a*math.pi/180.))\n",
+ "a= math.sqrt(8*d2*d2)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' size of cubic unit cell =',a,'A')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " size of cubic unit cell = 4.0842 A\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 75"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Density of silver\n",
+ "#initialisation of variables\n",
+ "M= 107.88 #gm\n",
+ "z= 4\n",
+ "v= 4.086 #A\n",
+ "N= 6.023*10**23\n",
+ "#CALCULATIONS\n",
+ "d= z*M/(v**3*10**-24*N)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' Density of silver =',d,'gm cm^-3')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Density of silver = 10.5025 gm cm^-3\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 75"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molecular weight\n",
+ "#initialisation of variables\n",
+ "d= 1.287 #g cm**-3\n",
+ "a= 123 #A\n",
+ "z= 4\n",
+ "#CALCULATIONS\n",
+ "M= d*6.023*10**23*a**3*10**-24/z\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' molecular weight =',M,'gm ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molecular weight = 3.6e+05 gm \n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 78"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of silver atom\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "a= 4.086 #A\n",
+ "#CALCULATIONS\n",
+ "d= a*math.sqrt(2)\n",
+ "r= d/4.\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' radius of silver atom=',r,' A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius of silver atom= 1.445 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 99"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the surface tension\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "M= 38.3 #mg cm^-1\n",
+ "d= 13.55 #g cm^-3\n",
+ "p= 0.9982 #g cm^-3\n",
+ "g= 980.7 #cm/sec^2\n",
+ "l= 4.96 #cm\n",
+ "#CALCULATIONS\n",
+ "r= math.sqrt(M*10**-3/(d*math.pi))\n",
+ "R= r*p*g*l/2\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' surface tension =',R,' ergs cm^-2 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " surface tension = 72.8 ergs cm^-2 \n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 103"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the dipole moment of water\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "r= 1.333\n",
+ "d= 0.9982 #g cm**-3\n",
+ "m= 18.02 #gm\n",
+ "Pm= 74.22 #cc\n",
+ "k= 8.314*10**7 \n",
+ "N= 6.023*10**23\n",
+ "T= 293 #k\n",
+ "#CALCULATIONS\n",
+ "Rm= ((r**2-1)/(r**2+2))*m/d\n",
+ "u= math.sqrt(9*k*T*(Pm-Rm)/(4*math.pi*N**2))\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' dipole moment of water =',u,'e.s.u ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " dipole moment of water = 1.84e-18 e.s.u \n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 103"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of argon atom\n",
+ "#initialisation of variables\n",
+ "a= 1.66*10**-24 #cm**3\n",
+ "#CALCULATIONS\n",
+ "r= a**(1/3.)/10**-8\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' radius =',r,'A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius = 1.18 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 104"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the index of refraction\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "N= 6.023*10**23 #molecules\n",
+ "a= 10**-24\n",
+ "k= 0.89\n",
+ "cl= 3.60\n",
+ "M= 74.56 #gms\n",
+ "d= 1.989 #g/cm^3\n",
+ "#CACLULATIONS\n",
+ "Rm= 4*math.pi*N*(k+cl)*a/3\n",
+ "r= Rm*d/M\n",
+ "n= math.sqrt((2*r+1)/(1-r))\n",
+ "#RESULTS\n",
+ "print '%s %.3f' % (' index of refraction= ',n)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " index of refraction= 1.516\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 104"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of K and Cl atoms\n",
+ "#initialisation of variables\n",
+ "v= 3.6 #cc\n",
+ "v1= 0.89 #cc\n",
+ "s= 3.146 #A\n",
+ "#CALCULATIONS\n",
+ "r= (v/v1)**(1/3.)\n",
+ "r1 = s/(1+r)\n",
+ "r2 = s-r1\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' radius of k+=',r1,'A ')\n",
+ "print '%s %.3f %s' % (' \\n radius of cl-=',r2,'A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius of k+= 1.213 A \n",
+ " \n",
+ " radius of cl-= 1.933 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 107"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the angle of rotation\n",
+ "#initialisation of variables\n",
+ "g= 10 #gm\n",
+ "d= 1.038 #gm/mol\n",
+ "M= 100 #gm\n",
+ "x= 66.412\n",
+ "y= 0.127\n",
+ "z= 0.038\n",
+ "l= 20 #cm\n",
+ "#CALCULATIONS\n",
+ "p= g/(M/d)\n",
+ "X= x+y-z\n",
+ "ar= X*l*p/10.\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' angle of rotation=',ar,'degrees ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " angle of rotation= 13.81 degrees \n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 108"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the viscosity of toluene\n",
+ "#initialisation of variables\n",
+ "t= 68.9 #sec\n",
+ "t1= 102.2 #sec\n",
+ "p1= 0.866 #g/cm^3\n",
+ "p2= 0.998 #gm/cm^3\n",
+ "n= 0.01009 #dynesc/cm^2\n",
+ "#CALCULATIONS\n",
+ "N= n*t*p1/(t1*p2)\n",
+ "#RESULTS\n",
+ "print '%s %.5f %s' % (' viscosity of toluene=',N,'dyne sec/cm^2 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " viscosity of toluene= 0.00590 dyne sec/cm^2 \n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_3.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_3.ipynb new file mode 100755 index 00000000..51fa8398 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_3.ipynb @@ -0,0 +1,896 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:e52ffa5d23d3ddfa48a481e2732abf0ed79242403a53e7634d8954f9e01773b0"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 3 - First law of Thermodynamics"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 129"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the increase in energy\n",
+ "#initialisation of variables\n",
+ "P= 0.0060 #atm\n",
+ "M=18. #gm\n",
+ "L=80 #cal/gm\n",
+ "H=596.1 #cal/gm\n",
+ "#calculations\n",
+ "Hs=M*L+M*H\n",
+ "#results\n",
+ "print '%s %d %s' %('Net increase in energy = ',Hs,'cal')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Net increase in energy = 12169 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 130"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the increase in energy\n",
+ "#initialisation of variables\n",
+ "P= 0.0060 #atm\n",
+ "V1= 0.0181 #l\n",
+ "H= -10730 #cal\n",
+ "V2= 22.4 #l\n",
+ "#CALCULATIONS\n",
+ "W= (V2-P*V1)*(1.987/.08205)\n",
+ "E= H+W\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' increase in energy=',E,' cal ')\n",
+ "print 'The answer differs a bit from the textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in energy= -10187 cal \n",
+ "The answer differs a bit from the textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 132"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the increase in energy\n",
+ "#initialisation of variables\n",
+ "T1= 70 #C\n",
+ "T2= 10 #C\n",
+ "Cp= 18 #cal mole^-1 deg^-1\n",
+ "P= 1 #atm\n",
+ "m= 18. #g\n",
+ "d= 0.9778 #g/ml\n",
+ "d1= 0.9997 #g/ml\n",
+ "e= 1.987 #cal\n",
+ "x= 82.05 #ml atm\n",
+ "#CALCULATIONS\n",
+ "H= Cp*(T1-T2)\n",
+ "E= H-(e/x)*P*((m/d)-(m/d1))\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' increase in energy=',E,'cal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in energy= 1080.0 cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 132"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the conversion factor\n",
+ "#initialisation of variables\n",
+ "i= 1 #amp\n",
+ "r= 2 #ohms\n",
+ "t= 10 #min\n",
+ "dT= 2.73 #C\n",
+ "x= 0.1 #cal/deg\n",
+ "x1= 100 #cal/deg\n",
+ "x2= 5 #cal/deg\n",
+ "#CALCULATIONS\n",
+ "w= i**2*r*t*60\n",
+ "H= (x+x1+x2)*dT\n",
+ "E= w/H\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % ('conversion factor =',E,'cal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "conversion factor = 4.18 cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 137"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the heat at constant pressure and volume\n",
+ "#initialisation of variables\n",
+ "Cp= 6.0954 #cal /mol deg\n",
+ "Cp1= 3.2533*10**-3 #cal /mol deg\n",
+ "Cp2= 1.071*10**-6 #cal /mol deg\n",
+ "T= 100 #C\n",
+ "T1= 0 #C\n",
+ "R= 1.987 #atml/cal K\n",
+ "#CALULATIONS\n",
+ "H= Cp*(T-T1)+(Cp1/2)*((T+273.2)**2-(T1+273.2)**2)-(Cp2/3)*((T+273.2)**3-(T1+273.2)**3)\n",
+ "q= H-R*(T-T1)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Heat at constant pressure=',H,'cal ')\n",
+ "print '%s %.1f %s' % (' \\n Heat at constant volume=',q,'cal ')\n",
+ "print 'The answer differs a bit from the textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Heat at constant pressure= 703.4 cal \n",
+ " \n",
+ " Heat at constant volume= 504.7 cal \n",
+ "The answer differs a bit from the textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 140"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the work done in the process\n",
+ "#initialisation of variables\n",
+ "vl= 0.019 #l\n",
+ "vg= 16.07 #l\n",
+ "h= 1489. #mm of Hg\n",
+ "#CALCULATIONS\n",
+ "w= -(h/760)*(vl-vg)*(1.987/0.08206)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Work done=',w,'cal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Work done= 761 cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 141"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the minimum work in both cases\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "n= 2 #moles\n",
+ "R= 0.08206 #J/mol K\n",
+ "T= 25 #C\n",
+ "b= 0.0428 #lmole^-1\n",
+ "a= 3.61 #atm l^2 mole^-1\n",
+ "V1= 20. #l\n",
+ "V2= 1. #l\n",
+ "#CALCULATIONS\n",
+ "w1= n*1.987*(273.2+T)*math.log10(V1/V2) *2.303\n",
+ "w= (n*R*(273.2+T)*2.303*math.log10((V1-n*b)/(V2-n*b))-a*n**2*((1/V2)-(1/V1)))*(1.987/0.08206)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' minimum work=',w1,'cal ')\n",
+ "print '%s %.1f %s' % (' \\n minimum work=',w,'cal ')\n",
+ "print 'The answer differs a bit from the textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " minimum work= 3550.7 cal \n",
+ " \n",
+ " minimum work= 3319.5 cal \n",
+ "The answer differs a bit from the textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 144"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the final volume and temperature of the gas. Also calculate the work done in the process\n",
+ "#initialisation of variables\n",
+ "cv = 5.00 #cal mole^-1 deg^-1\n",
+ "R= 1.99 #cal mole^-1 deg^-1\n",
+ "p= 1 #atm\n",
+ "p1= 100. #atm\n",
+ "V= 75. #l\n",
+ "n= 3. #moles\n",
+ "R1= 0.08206 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "cp= cv+R\n",
+ "r= cp/cv\n",
+ "V1= V/(p1/p)**(1/r)\n",
+ "T2= p1*V1/(n*R1)\n",
+ "w= (p1*V1-p*V)*R/((r-1)*R1)\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' final volume of gas =',V1,'l ')\n",
+ "print '%s %d %s' % (' \\n final temperature of gas =',T2,'K ')\n",
+ "print '%s %d %s' % (' \\n Work done =',w,'cal ')\n",
+ "print 'The answer differs a bit from the textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " final volume of gas = 2.78 l \n",
+ " \n",
+ " final temperature of gas = 1130 K \n",
+ " \n",
+ " Work done = 12384 cal \n",
+ "The answer differs a bit from the textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 144"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the change in energy and enthalpy\n",
+ "#initialisation of variables\n",
+ "cv= 5 #cal mole^-1\n",
+ "P= 100 #atm\n",
+ "T= 1130 #K\n",
+ "T1= 812 #K\n",
+ "n= 3 #moles\n",
+ "R= 1.99 #cal/mole K\n",
+ "#CALCULTIONS\n",
+ "E= n*cv*(T1-T)\n",
+ "H= E+n*R*(T1-T)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' change in energy =',E,'cal ')\n",
+ "print '%s %.1f %s' % (' \\n change in enthalpy=',H,' cal ')\n",
+ "print 'The answer differs a bit from the textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " change in energy = -4770.0 cal \n",
+ " \n",
+ " change in enthalpy= -6668.5 cal \n",
+ "The answer differs a bit from the textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 145"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the work done and final pressure\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "k= 1.435 \n",
+ "k1= 17.845*10**-3 #K**-1\n",
+ "k2= -4.165*10**-6 #K**-2\n",
+ "T= 200. #C\n",
+ "T1= 0. #C\n",
+ "P= 10. #atm\n",
+ "R= 1.987 #cal/mol K\n",
+ "k3= 3.422\n",
+ "#CALCULATIONS\n",
+ "W= k*(T-T1)+(k1/2)*((273+T)**2-(273+T1)**2)+(k2/3)*((273+T)**3-(273+T1)**3)\n",
+ "P2= (P/math.e**((k*math.log((273+T1)/(273+T))+k1*(T1-T)+(k2/2)*((273+T1)**2-(273+T)**2))/R))/100.\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' work done by methane =',W,'cal ')\n",
+ "print '%s %.2f %s' % (' \\n final pressure=',P2,'atm ')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " work done by methane = 1499 cal \n",
+ " \n",
+ " final pressure= 0.77 atm \n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - pg 150"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the fraction of liquid\n",
+ "#initialisation of variables\n",
+ "P= 100 #atm\n",
+ "P1= 1 #atm\n",
+ "R= 1.99 #cal/mol**-1 K**-1\n",
+ "k= 0.3 #atm**-1\n",
+ "E= 1600 #cal\n",
+ "T= -183 #C\n",
+ "T1= 0 #C\n",
+ "#CALCULATIONS\n",
+ "X= (k*3.5*R*(P-P1))/(3.5*R*(T1-T)+E)\n",
+ "#RESULTS\n",
+ "print '%s %.3f' % (' fraction of liquid = ',X)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " fraction of liquid = 0.072\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 152"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy change of the reaction\n",
+ "#initialisation of variables\n",
+ "H= -21.8 #kcal\n",
+ "H1= 3.3 #kcal\n",
+ "#CALCULATIONS\n",
+ "H2= H-H1\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Enthalpy =',H2,'kcal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -25.1 kcal \n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - pg 153"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the heat of hydrogenation\n",
+ "#initialisation of variables\n",
+ "H= -68.317 #kcal\n",
+ "H1= -310.615 #kcal\n",
+ "H2= -337.234 #kcal\n",
+ "R= 1.987 #cal/mol^-1 K^-1\n",
+ "T= 298.2 #K\n",
+ "n= 1 #mole\n",
+ "n1= 1 #mole\n",
+ "n2= 1 #mole\n",
+ "#CALCULATIONS\n",
+ "E= H+H1-H2-(n-n1-n2)*R*T*10**-3\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Heat of hydrogenation =',E,'kcal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Heat of hydrogenation = -41.105 kcal \n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 15 - pg 155"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy of the process\n",
+ "#initialisation of variables\n",
+ "Hf= -196.5 #kcal\n",
+ "H= -399.14 #kcal\n",
+ "#CALCULATIONS\n",
+ "H1= (H-Hf)*1000\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Enthalpy =',H1,' kcal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -202640 kcal \n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 157"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Enthalpy change\n",
+ "#initialisation of variables\n",
+ "H= -350.2 #kcal\n",
+ "H1= -128.67 #kcal\n",
+ "H2= -216.90 #kcal\n",
+ "#CALCULATIONS\n",
+ "H3= H-(H1+H2)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Enthalpy =',H3,'kcal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -4.6 kcal \n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 17 - pg 158"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy of the process\n",
+ "#initialisation of variables\n",
+ "H= -40.023 #kcal\n",
+ "H1= -22.063 #kcal\n",
+ "#CALCULATIONS\n",
+ "H2= H-H1\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Enthalpy =',H2,' kcal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -17.960 kcal \n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 162"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy change in the process\n",
+ "#initialisation of variables\n",
+ "H= -112.148 #k cal\n",
+ "H1= 101.99 #k cal\n",
+ "Hx=-112.148 #kcal\n",
+ "Hy=-111.015 #kcal\n",
+ "Hz=-.64\n",
+ "Hsol=-9.02\n",
+ "#CALCULATIONS\n",
+ "H2= H+H1\n",
+ "H3=2*Hx-2*Hy\n",
+ "H4=-10*Hz\n",
+ "H5=Hsol-5*Hz\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' Enthalpy in case 1=',H2,'k cal ')\n",
+ "print '%s %.3f %s' % (' Enthalpy in case 2=',H3,'k cal ')\n",
+ "print '%s %.1f %s' % (' Enthalpy in case 3=',H4,'k cal ')\n",
+ "print '%s %.2f %s' % (' Enthalpy in case 4=',H5,'k cal ')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy in case 1= -10.16 k cal \n",
+ " Enthalpy in case 2= -2.266 k cal \n",
+ " Enthalpy in case 3= 6.4 k cal \n",
+ " Enthalpy in case 4= -5.82 k cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 34
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 19 - pg 167"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the dE and dH in the process\n",
+ "#initialisation of variables\n",
+ "cp=18.\n",
+ "T2=373 #K\n",
+ "T1=298 #K\n",
+ "T3=403.2 #K\n",
+ "hvap=9713 #cal\n",
+ "H4= 0 #cal\n",
+ "E4= 0 #cal\n",
+ "a=7.1873\n",
+ "b=2.3733e-3\n",
+ "c=.2084e-6\n",
+ "R=1.987\n",
+ "#RESULTS\n",
+ "H1=cp*(T2-T1)\n",
+ "H2=hvap\n",
+ "H3=a*(T3-T2) + b/2 *(T3**2-T2**2) + c/3 *(T3**3-T2**3)\n",
+ "E1=H1\n",
+ "E2=H2-R*T2\n",
+ "E3=H3-R*(T3-T2)\n",
+ "H= H1+H2+H3+H4\n",
+ "E= E1+E2+E3+E4\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Enthalpy=',H,'cal ')\n",
+ "print '%s %d %s' % (' \\n Energy=',E,' cal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy= 11308 cal \n",
+ " \n",
+ " Energy= 10507 cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 18
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 20 - pg 171"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy change \n",
+ "#initialisation of variables\n",
+ "H= -114009.8 #cal\n",
+ "x= -5.6146 #K**-1\n",
+ "y= 0.9466*10**-3 #K**-2\n",
+ "z= 0.1578*10**-6 #K**-3\n",
+ "T= 1000\n",
+ "#CALCULATIONS\n",
+ "H1= H+x*T+y*T**2+z*T**3\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' %(' Enthalpy =',H1,'cal ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -118520.0 cal \n"
+ ]
+ }
+ ],
+ "prompt_number": 19
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 21 - pg 173"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#caculate the temperature achieved\n",
+ "#Initialization of variables\n",
+ "import numpy\n",
+ "a=72.3639\n",
+ "b=36.2399e-3\n",
+ "c=3.7621e-6\n",
+ "H=214920\n",
+ "#calculations\n",
+ "vec=([-c/3,b/2,a,-H])\n",
+ "vec2=numpy.roots(vec)\n",
+ "vec22=(vec2[2])\n",
+ "#results\n",
+ "print '%s %.1f %s' %('The required temperature observed is', vec22,'K')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "The required temperature observed is 2059.4 K\n"
+ ]
+ }
+ ],
+ "prompt_number": 24
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 22 - pg 175"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the change in enthalpy\n",
+ "#initialisation of variables\n",
+ "T= 298 #K\n",
+ "R= 1.987 #atmcc/mol K\n",
+ "x= 128.16\n",
+ "y= 0.9241\n",
+ "H= -8739 #cal\n",
+ "H1=-771.1 #cal\n",
+ "H22=-196.5 #cal\n",
+ "H33=-30.4 #cal\n",
+ "n1= 10 #mol\n",
+ "n2= 12 #mol\n",
+ "M1=122.12\n",
+ "M11=128.16\n",
+ "M2=55.85\n",
+ "dT=2.51\n",
+ "x1=.8\n",
+ "H2=1947.4\n",
+ "x2=1.\n",
+ "H3=1944.2\n",
+ "dT2=3.62\n",
+ "#CALCULATIONS\n",
+ "E1=H1+1.5*R*T/1000.\n",
+ "E2=H22+1.5*R*T/1000.\n",
+ "E3=(H33+3.5*R*T/1000.)/2.\n",
+ "C=(-E1*.9619/M1-E2/2/M2*.0002 -.47/1000. *E3)*1000/dT - x1-H2\n",
+ "E11=(-E2/2/M2*.0002-.76/1000. *E3 - (x2+H3+C)*dT2)*M11/.9241\n",
+ "H= (E11+R*T*(n1-n2))/1000\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' %(' Enthalpy =',H,'kcal mole^-1 ')\n",
+ "print 'The answer is a bit different from textbook due to rounding off error'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -1214.5 kcal mole^-1 \n",
+ "The answer is a bit different from textbook due to rounding off error\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_4.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_4.ipynb new file mode 100755 index 00000000..b8239152 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_4.ipynb @@ -0,0 +1,1022 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:f5ac26c556550c99333fe9a615118f88638c4e49d92a9c806704f151f26a3795"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 4 - Second and Third laws of thermodynamics"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 192"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the maximum efficiency in all cases\n",
+ "#initialisation of variables\n",
+ "T = 100. #C\n",
+ "T1= 25. #C\n",
+ "T2= 150. #C\n",
+ "T3= 357. #C\n",
+ "T4= 500. #C\n",
+ "T5= 2000. #C\n",
+ "T6= 5*10**6\n",
+ "T7= 1000. #C\n",
+ "#CALCULATIONS\n",
+ "e= (T-T1)/(T+273)\n",
+ "e1= (T2-T1)/(273+T2)\n",
+ "e2= (T3-T)/(273+T3)\n",
+ "e3= (T5-T4)/(T5+273)\n",
+ "e4= (T6-T7)/T6\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % (' maximum efficiency in case 1= ',e)\n",
+ "print '%s %.2f' % (' \\n maximum efficiency in case 2 = ',e1)\n",
+ "print '%s %.2f' % (' \\n maximum efficiency in case 3 = ',e2)\n",
+ "print '%s %.2f' % (' \\n maximum efficiency in case 4 = ',e3)\n",
+ "print '%s %.2f' % (' \\n maximum efficiency in case 5 = ',e4)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " maximum efficiency in case 1= 0.20\n",
+ " \n",
+ " maximum efficiency in case 2 = 0.30\n",
+ " \n",
+ " maximum efficiency in case 3 = 0.41\n",
+ " \n",
+ " maximum efficiency in case 4 = 0.66\n",
+ " \n",
+ " maximum efficiency in case 5 = 1.00\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 194"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the maximum efficiency and minimum work\n",
+ "#initialisation of variables\n",
+ "T= 20. #C\n",
+ "T1= -10. #C\n",
+ "q= 1000. #cal\n",
+ "#CALCULATIONS\n",
+ "e= (273+T1)/(T-T1)\n",
+ "w= (T-T1)*q/(273+T1)\n",
+ "#RESULTS\n",
+ "print '%s %.1f' % (' maximum efficiency = ',e)\n",
+ "print '%s %d %s' % (' \\n minimum work =',w,'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " maximum efficiency = 8.8\n",
+ " \n",
+ " minimum work = 114 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 197"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the net work done on and by the gas\n",
+ "#initialisation of variables\n",
+ "T= 1000 #K\n",
+ "T1= 400 #/K\n",
+ "w= 1000 #cal\n",
+ "E= 0 #cal\n",
+ "gam=7/5.\n",
+ "#CALCULATIONS\n",
+ "q= w-E\n",
+ "W= q*(T-T1)/T\n",
+ "q1= W-q\n",
+ "W1= -q1\n",
+ "dE=5/2.*(T1-T)\n",
+ "dH=7/2. *(T1-T)\n",
+ "w2=dE-E\n",
+ "w3=(T-T1)/(gam-1)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % ('net work done by gas=',W,' cal')\n",
+ "print '%s %.1f %s' % ('net work done on gas =',W1,'cal')\n",
+ "print '%s %.1f %s' %('Change in Internal energy = ',dE,'R cal')\n",
+ "print '%s %.1f %s' %('Change in Enthalpy = ',dH,'R cal')\n",
+ "print '%s %.1f %s' %('Work for adiabatic compression =',w3,'R cal')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "net work done by gas= 600.0 cal\n",
+ "net work done on gas = 400.0 cal\n",
+ "Change in Internal energy = -1500.0 R cal\n",
+ "Change in Enthalpy = -2100.0 R cal\n",
+ "Work for adiabatic compression = 1500.0 R cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 199"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the entropy of substances\n",
+ "#initialisation of variables\n",
+ "import numpy as np\n",
+ "Hv= np.array([1960.,1560.,4880.,37000.,5500.,27400.,60700.,9720.,30900.]) #cal mole^-1\n",
+ "Tb= np.array([112.,87.3,239.,1806.,259.,1180.,2466.,373.,1029.]) #K\n",
+ "#CALCULATIONS\n",
+ "Sv= np.round(Hv/Tb,1)\n",
+ "#RESULTS\n",
+ "print '%s' % (' Entropy (cal mole deg^-1)')\n",
+ "print Sv\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Entropy (cal mole deg^-1)\n",
+ "[ 17.5 17.9 20.4 20.5 21.2 23.2 24.6 26.1 30. ]\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 201"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the entropy at constant pressure and volume\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "T= 300. #K\n",
+ "T1= 400. #K\n",
+ "k= 6.0954\n",
+ "k1= 3.2533*10**-3\n",
+ "k2= -1.0171*10**-6\n",
+ "R= 1.98719 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "S= 2*(k*math.log(T1/T)+k1*(T1-T)+k2*(T1**2-T**2)/2)\n",
+ "S1= S-2*R*math.log(T1/T)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' Entropy=',S,' cal deg^-1')\n",
+ "print '%s %.4f %s' % (' \\n Entropy =',S1,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Entropy= 4.0865 cal deg^-1\n",
+ " \n",
+ " Entropy = 2.9432 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 216"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the final temperature \n",
+ "#initialisation of variables\n",
+ "T1= 273.16 #K\n",
+ "R= 1.987 #cal /mol K\n",
+ "R1= 0.08205 #J /mol K\n",
+ "n= 10 #moles\n",
+ "V1= 22.4 #lit\n",
+ "a= 1.36\n",
+ "Cv= 4.9\n",
+ "#CALCULATIONS\n",
+ "T2= T1-(R*a*(n-1)/(R1*n*Cv*V1))\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' temperature=',T2,' K')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " temperature= 272.89 K\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 218"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the inversion Temperature\n",
+ "#initialisation of variables\n",
+ "a= 1.360 #l^2 atm mole^-1\n",
+ "b= 0.0317 #l mole^-1\n",
+ "R= 0.08205 #J/mol K\n",
+ "#CALCULATIONS\n",
+ "T= 2*a/(b*R)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % ('Inversion Temperature=',T,'K')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Inversion Temperature= 1045.8 K\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 218"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the joule thomson coefficient\n",
+ "#initialisation of variables\n",
+ "a= 1.360 #l^2 atm mole^-1\n",
+ "b= 0.0317 #l mole^-1\n",
+ "R= 0.08205 #J/mol K\n",
+ "R1= 1.987 #cal/mole K\n",
+ "Cp= 6.9 #cal mole^-1 deg^-1\n",
+ "T= 273.2 #K\n",
+ "#CALCULATIONS\n",
+ "u= ((2*a/(R*T))-b)/(Cp*(R/R1))\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Joule thomson coefficient=',u,' atm^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Joule thomson coefficient= 0.315 atm^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - pg 221"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the increase in entropy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "p= 4/3. #atm\n",
+ "p1= 1 #atm\n",
+ "R= 1.9872 #cal /mole K\n",
+ "#CALCULATIONS\n",
+ "S= 2*R*math.log(p/p1)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' %(' increase in entropy=',S,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in entropy= 1.1434 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 222"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the increase in entropy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "p1= 1 #atm\n",
+ "R= 1.9872 #cal /mole K\n",
+ "#CALCULATIONS\n",
+ "S= 0 #Initial and final states are alike\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' %(' increase in entropy=',S,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in entropy= 0.0000 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - pg 222"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate rhe increase in entropy in both cases\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "T= 25. #C\n",
+ "T1= 100. #C\n",
+ "R= 1.9872 #cal /mole K\n",
+ "p= 1 #atm\n",
+ "p1= 10. #atm\n",
+ "#CALCULATIONS\n",
+ "S= 3.5*R*math.log((T1+273)/(T+273))\n",
+ "S1= S+R*math.log(p/p1)\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' increase in entropy in case 1 =',S,'cal deg^-1')\n",
+ "print '%s %.2f %s' % (' \\n increase in entropy in case 2 =',S1,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in entropy in case 1 = 1.56 cal deg^-1\n",
+ " \n",
+ " increase in entropy in case 2 = -3.01 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 15 - pg 222"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the absolute entropy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "S= 45.77 #cal deg^-1\n",
+ "T= 25. #C\n",
+ "T1= 100. #C\n",
+ "R= 1.9872 #cal /mole K\n",
+ "#CALCULATIONS\n",
+ "S0= S+ 3.5*R*math.log((T1+273)/(T+273))\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' absolute entropy=',S0,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " absolute entropy= 47.33 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 226"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the change in entropy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "Cp= 18. #cal deg^-1\n",
+ "T= 0. #C\n",
+ "T1= -5. #C\n",
+ "H2= -1440. #cal\n",
+ "Cp1= 9. #cal deg^-1\n",
+ "H= 0.\n",
+ "#CALCULATIONS\n",
+ "T2= (-Cp*(T-T1)-H2+Cp1*(273.16+T))/Cp1\n",
+ "S= Cp*math.log((273.16+T)/(273.16+T1))-(Cp*(T-T1)/(T+273.16))\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' Change in entropy=',S,'cal deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Change in entropy= 0.0031 cal deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 231"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Gibbs free energy\n",
+ "#initialisation of variables\n",
+ "H= -57.7979 #cal\n",
+ "H1= -68.3174 #cal\n",
+ "S= 45.106 #cal deg^-1\n",
+ "S1= 16.716 #cal deg^-1\n",
+ "T= 25 #C\n",
+ "#CALCULATIONS\n",
+ "H2= (H-H1)*1000\n",
+ "S2= S-S1\n",
+ "G= H2-(273.16+T)*S2\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Gibbs free energy=',G,'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Gibbs free energy= 2054.7 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 19 - pg 231"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Gibbs free energy\n",
+ "#initialisation of variables\n",
+ "H= -68317.4 #cal\n",
+ "S= 16.716 #cal\n",
+ "S1= 49.003 #cal\n",
+ "S2= 31.211 #cal\n",
+ "T= 25 #C\n",
+ "#CALCULATIONS\n",
+ "H1= 2*H\n",
+ "S3= 2*S-(S1+2*S2)\n",
+ "G= H1-(T+273.16)*S3\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Gibbs free energy=',G,'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Gibbs free energy= -113380.4 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 20 - pg 232"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the gibbs free energy change\n",
+ "#initialisation of variables\n",
+ "H= -57.7979 #kcal\n",
+ "H1= -196.5 #kcal\n",
+ "S1=45.106\n",
+ "S2=6.49\n",
+ "S3=21.5\n",
+ "S4=31.211\n",
+ "T=298.16\n",
+ "#calculations\n",
+ "dH=3*H-H1\n",
+ "dS=3*S1+2*S2-S3-3*S4\n",
+ "dG=dH*1000-T*dS\n",
+ "#results\n",
+ "print '%s %d %s' %(\"Gibbs free energy change =\",dG,\"cal\")\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Gibbs free energy change = 13217 cal\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 22 - pg 240"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Gibbs free energy and value of A in both cases\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "p= 1. #atm\n",
+ "p1= 3. #atm\n",
+ "R= 1.987 #cal/mole K\n",
+ "T= 27. #C\n",
+ "b= 0.0428 #l mole^-1\n",
+ "a= 3.61 #l^2 atm mole^-1\n",
+ "#CALCULATIONS\n",
+ "G= R*(273+T)*math.log(p/p1)\n",
+ "A= R*(273+T)*math.log(p/p1)\n",
+ "G1= R*(273+T)*math.log(p/p1)+(b-(a/(0.08205*(T+273))))*(p-p1)*(R/0.08205)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Gibs free energy=',G,'cal')\n",
+ "print '%s %.1f %s' % (' \\n Value of dA=',A,'cal')\n",
+ "print '%s %.1f %s' % (' \\n Gibs free energy=',G1,'cal')\n",
+ "print '%s %.1f %s' % (' \\n Value of dA=',A,'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Gibs free energy= -654.9 cal\n",
+ " \n",
+ " Value of dA= -654.9 cal\n",
+ " \n",
+ " Gibs free energy= -649.9 cal\n",
+ " \n",
+ " Value of dA= -654.9 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 24 - pg 244"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the fugacities of both components\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "b= 0.0386 #l**2 atm mole**-1\n",
+ "a= 1.348 #l mole**-1\n",
+ "R= 0.08205 #cal /mole K\n",
+ "T= 25 #C\n",
+ "a1= 3.61 #l**2 atm mole**-1\n",
+ "b1= 0.0428 #l mole**-1\n",
+ "P= 50 #atm\n",
+ "P1= 1 #atm\n",
+ "#CALCULATIONS\n",
+ "Bn= b-(a/(R*(273.2+T)))\n",
+ "Bc= b1-(a1/(R*(273.2+T))) \n",
+ "Fn= P1*math.e**(Bn*P1/(R*(273.2+T)))\n",
+ "Fc= P1*math.e**(Bc*P1/(R*(273.2+T)))\n",
+ "Fn1= P*math.e**(Bn*P/(R*(273.2+T)))\n",
+ "Fc1= P*math.e**(Bc*P/(R*(273.2+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.3f %.2f %s' % (' Fugacity of N2 at 1 and 50 atm are respectively =',Fn,Fn1,'atm')\n",
+ "print '%s %.3f %.2f %s' % (' \\n Fugacity of CO2 at 1 and 50 atm are respectively =',Fc,Fc1,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Fugacity of N2 at 1 and 50 atm are respectively = 0.999 48.34 atm\n",
+ " \n",
+ " Fugacity of CO2 at 1 and 50 atm are respectively = 0.996 40.37 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 25 - pg 245"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Increase in pressure in all cases\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "P1= 23.756 #atm\n",
+ "T= 25. #C\n",
+ "P2= 1. #atm\n",
+ "P3= 10. #atm\n",
+ "P4= 100. #atm\n",
+ "R= 82.02 #J/mole K\n",
+ "v= 18.07 #ml\n",
+ "#CALCULATIONS\n",
+ "p1= P1/760.\n",
+ "p2= 10**(math.log10(P1)+(v*(P2-p1)/(2.303*R*(273.2+T))))\n",
+ "p3= 10**(math.log10(P1)+(v*(P3-p1)/(2.303*R*(273.2+T))))\n",
+ "p4= 10**(math.log10(P1)+(v*(P4-p1)/(2.303*R*(273.2+T))))\n",
+ "x= -(P1-p2)*100/P1\n",
+ "x1= -(P1-p3)*100/P1\n",
+ "x2= -(P1-p4)*100/P1\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % ('Increase in pressure=',x,'percent')\n",
+ "print '%s %.2f %s' % ('Increase in pressure=',x1,' percent')\n",
+ "print '%s %.1f %s' % ('Increase in pressure=',x2,' percent')\n",
+ "print '%s %.3f %s' %('Vapor pressure at 1 atm',p2,'mm Hg')\n",
+ "print '%s %.3f %s' %('Vapor pressure at 10 atm',p3,'mm Hg')\n",
+ "print '%s %.3f %s' %('Vapor pressure at 100 atm',p4,'mm Hg')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Increase in pressure= 0.07 percent\n",
+ "Increase in pressure= 0.74 percent\n",
+ "Increase in pressure= 7.7 percent\n",
+ "Vapor pressure at 1 atm 23.773 mm Hg\n",
+ "Vapor pressure at 10 atm 23.932 mm Hg\n",
+ "Vapor pressure at 100 atm 25.577 mm Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 26 - pg 247"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure required\n",
+ "#initialisation of variables\n",
+ "H= 1436.3 #cal mole^-1\n",
+ "d= 0.9999 #g ml^-1\n",
+ "d1= 0.9168 #g ml^-1\n",
+ "P= 1. #atm\n",
+ "m= 18.02 #gm\n",
+ "R= 1.987 #cal/mole K\n",
+ "T= 2 #C\n",
+ "#CALCULATIONS\n",
+ "V= (P/d)-(P/d1)\n",
+ "H1= H*82.05/(m*R) \n",
+ "P1= H1*(-T)/(273*V)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' pressure required to decrease=',P1,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " pressure required to decrease= 266.0 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 27 - pg 249"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the heat of vapourisation\n",
+ "#initialisation of variables\n",
+ "H= 540. #cal gram ^-1\n",
+ "T= 95. #C\n",
+ "T1= 100. #C\n",
+ "m= 18. #gms\n",
+ "R= 1.987 #cal /mole K\n",
+ "P= 760. #mm of Hg\n",
+ "#CALCULATIONS\n",
+ "H1= m*H\n",
+ "P1= P/(10**(H1*(T1-T)/(2.303*R*(273+T)*(273+T1))))\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' heat of vapourisation=',P1,'mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " heat of vapourisation= 636.0 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 28 - pg 249"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the vapor pressure of water\n",
+ "#initialisation of variables\n",
+ "H= 9720 #cal mole^-1\n",
+ "P= 1 #atm\n",
+ "R= 1.987 #cal /mole K\n",
+ "T= 100 #C\n",
+ "T1= 95 #C\n",
+ "#CALCULATIONS\n",
+ "r= P*H/(R*(273+T)**2)\n",
+ "dP= r*(T1-T)\n",
+ "P1= (P+dP)*626/0.824\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' vapour pressure=',P1,'mm Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " vapour pressure= 626 mm Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 29 - pg 250"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the vapour pressure\n",
+ "#initialisation of variables\n",
+ "G= 145 #cal\n",
+ "R= 1.987 #cal/mole K\n",
+ "T= 95 #C\n",
+ "#CALCULATIONS\n",
+ "P= 10**(-G/(2.303*R*(273+T)))*(624/0.820)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' vapour pressure=',P,'mm Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " vapour pressure= 624 mm Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 30 - pg 250"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molar heat of vapourisation\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "R= 1.987 #cal/mole K\n",
+ "T1= 25 #C\n",
+ "T2= 76.8 #C\n",
+ "P2= 760. #mm\n",
+ "P1= 115. #mm\n",
+ "#CALCULATIONS\n",
+ "H= 2.303*R*(273.2+T1)*(273.2+T2)*math.log10(P2/P1)/(T2-T1)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' molar heat of vapourisation=',H,'cal mole^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molar heat of vapourisation= 7561 cal mole^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 17
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_5.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_5.ipynb new file mode 100755 index 00000000..98aa3041 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_5.ipynb @@ -0,0 +1,767 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:18c54e3b106846f46428edc2ce784211e8ed1cb16969a115044ec2bc914626ae"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 5 - The phase rule and solutions"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 261"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molality of the mixture\n",
+ "#initialisation of variables\n",
+ "m= 98.08 #gms\n",
+ "d= 1.102 #g ml^-1\n",
+ "m1= 165.3 #gm\n",
+ "v= 1000 #ml\n",
+ "wt=.15\n",
+ "#CALCULATIONS\n",
+ "form=d*v*wt/m\n",
+ "M= d*v-m1\n",
+ "norm=2*form\n",
+ "m2= m1*v/(m*M)\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' molality = ',m2,'molal')\n",
+ "print '%s %.3f %s' %('Formality = ',form,'gm formula wt/l')\n",
+ "print '%s %.3f %s' %('Normality = ',norm,'N')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molality = 1.799 molal\n",
+ "Formality = 1.685 gm formula wt/l\n",
+ "Normality = 3.371 N\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 272"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Increase in enthalpy\n",
+ "#initialisation of variables\n",
+ "T= -40 #C\n",
+ "v= 217.4 #cm^3\n",
+ "r= 8.8 # atm deg^-1\n",
+ "m= 18 #gms\n",
+ "#CALCULATIONS\n",
+ "H= (273+T)*(-v*m/1000)*r*(1.987/82.05)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Increase in enthalpy =',H,'cal mole^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Increase in enthalpy = -194.3 cal mole^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 279"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the density\n",
+ "#initialisation of variables\n",
+ "T= 27 #C\n",
+ "R= 0.08206 #cal/mol T\n",
+ "W= 28.6 #gms\n",
+ "#CALCULATIONS\n",
+ "d= W/((273.2+T)*R)\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' density =',d,' g l^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " density = 1.161 g l^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 289"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the mole fraction and total pressure\n",
+ "#initialisation of variables\n",
+ "P= 408. #mm of Hg\n",
+ "P1= 141. # mm of Hg\n",
+ "p= 60.\n",
+ "#CALCULATIONS\n",
+ "P2= P*(100-p)/100.\n",
+ "P3= P1*p/100.\n",
+ "N= P2/(P2+P3)\n",
+ "P4= P2+P3\n",
+ "#RESULTS\n",
+ "print '%s %.3f' % (' mole fraction = ',N)\n",
+ "print '%s %.1f %s' % (' \\n total pressure =',P4,' mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " mole fraction = 0.659\n",
+ " \n",
+ " total pressure = 247.8 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 289"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molality\n",
+ "#initialisation of variables\n",
+ "P2= 760. #mm of Hg\n",
+ "m2= 2.18*10**-3\n",
+ "v= 23.5 #ml\n",
+ "p= 21.\n",
+ "p1= 79.\n",
+ "#CALCULATIONS\n",
+ "K= P2*55.5/m2\n",
+ "K1= 760*55.5*22.4*10**3/v\n",
+ "m= 55.5*(p*760/(100*K))+55.5*(p1*760/(100*K1))\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' molality =',m,'molal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molality = 1.29e-03 molal\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 297"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the percentage of Br in the vapors in steam distillation\n",
+ "#initialisation of variables\n",
+ "Ph= 643. #mm of Hg\n",
+ "Mh= 18. #gms\n",
+ "Po= 117. #mm of Hg\n",
+ "Mo= 157. #gms\n",
+ "#CALCULATIONS\n",
+ "r= Ph*Mh/(Po*Mo)\n",
+ "P= 100*(1/(1+r))\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' percentage =',P,'percent')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " percentage = 61.3 percent\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 306"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the amounts of phases present at 375 and 370 C\n",
+ "#initialisation of variables\n",
+ "n= 1 \n",
+ "n1= 0.5\n",
+ "n3= 0.36\n",
+ "n4= 0.67\n",
+ "n5= 0.34\n",
+ "r= 3\n",
+ "#CALCULATIONS\n",
+ "A= (n-n1)/(n1-n3)\n",
+ "A1= r*(n4-n1)/(n1-n5)\n",
+ "#RESULTS\n",
+ "print '%s %.1f' % (' amount of phase at 375 C = ',A)\n",
+ "print '%s %.1f' % (' \\n amount of phase at 370 C = ',A1)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " amount of phase at 375 C = 3.6\n",
+ " \n",
+ " amount of phase at 370 C = 3.2\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 311"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the vapour pressure\n",
+ "#initialisation of variables\n",
+ "m= 100 #gms\n",
+ "m1= 1 #gms\n",
+ "m2= 2 #gms\n",
+ "P= 23.756 #mm of Hg\n",
+ "n= 18.02 \n",
+ "n1= 60.06\n",
+ "n2= 342.3 \n",
+ "#CALCULATIONS\n",
+ "r= ((m1/n1)+(m2/n2))/((m1/n1)+(m2/n2)+(m/n))\n",
+ "dp= P*r\n",
+ "P1= P-dp\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' vapour pressure =',P1,' mm of Hg')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " vapour pressure = 23.660 mm of Hg\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 315"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the boiling point of solution\n",
+ "#initialisation of variables\n",
+ "kf= 0.514 #K/molal\n",
+ "m= 0.225 #molal\n",
+ "#CALCULATIONS\n",
+ "dT= kf*m\n",
+ "T2=dT+100.\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' boiling point =',T2,' C')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " boiling point = 100.116 C\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - pg 315"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molecular weight of the solute\n",
+ "#initialisation of variables\n",
+ "kb= 2.64 #C gm\n",
+ "dT= 0.083 #C\n",
+ "m= 120 #gms\n",
+ "W2= 0.764 #gms\n",
+ "#CALCULATIONS\n",
+ "m2= dT/kb\n",
+ "M2= W2*1000/(m2*m)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' molecular weight of solute =',M2,'gms')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molecular weight of solute = 202.5 gms\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 318"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the value of n\n",
+ "#initialisation of variables\n",
+ "T= 176.5 #C\n",
+ "T1= 158.8 #C\n",
+ "Kf= 37.7\n",
+ "W1= 0.522 #gms\n",
+ "W2= 0.0386 #gms\n",
+ "m= 12 #gms\n",
+ "m1= 1 #gm\n",
+ "#CALCULATIONS\n",
+ "m3= (T-T1)/Kf\n",
+ "M2= W2*1000/(m3*W1)\n",
+ "r= M2/(m+m1)\n",
+ "#RESULTS\n",
+ "print '%s %d' % ('value of n = ',r)\n",
+ "print '%s %d %s' %('Molecular weight = ',M2,'gm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "value of n = 12\n",
+ "Molecular weight = 157 gm\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - pg 319"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the triple point of the system\n",
+ "#initialisation of variables\n",
+ "T= 273.2 #K\n",
+ "P= 0.0060 #atm\n",
+ "P1= 1 #atm\n",
+ "H= 3290 #cal\n",
+ "dV= -0.0907 #cc\n",
+ "#CALCULATIONS\n",
+ "dT= T*dV*(P-P1)/H\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' triple point =',dT,'C') \n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " triple point = 0.0075 C\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 323"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the fraction of impurity in both cases\n",
+ "#initialisation of variables\n",
+ "n= 100.\n",
+ "K= 2.\n",
+ "V= 100. #ml\n",
+ "V2= 1000. #ml\n",
+ "n= 10.\n",
+ "n1= 100.\n",
+ "#CALCULATIONS\n",
+ "x= (K*V/(K*V+(V2/n)))**n\n",
+ "y= (K*V/(K*V+(V2/n1)))**n1\n",
+ "#RESULTS\n",
+ "print '%s %.4f' % (' fraction of impurity = ',x)\n",
+ "print '%s %.4f' % (' \\n fraction of impurity = ',y)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " fraction of impurity = 0.0173\n",
+ " \n",
+ " fraction of impurity = 0.0076\n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 17 - pg 328"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molecular weight of the protein\n",
+ "#initialisation of variables\n",
+ "T= 27 #C\n",
+ "m= 0.635 #gms\n",
+ "V= 100 #ml\n",
+ "R= 0.08205 #cal/mol K\n",
+ "p= 2.35 #cm\n",
+ "#CALCULATIONS\n",
+ "M= 13.6*76*m*R*(T+273)*1000/(p*V)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' molecular weight =',M,'gms')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molecular weight = 68747 gms\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 328"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the osmotic pressure\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "R= 0.08205 #cal/mol K\n",
+ "v1= 0.0180#cc\n",
+ "N= 0.9820\n",
+ "T= 273.2\n",
+ "#CALCULATIONS\n",
+ "P= -R*T*math.log(N)/v1\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' osmotic pressure =',P,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " osmotic pressure = 22.6 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 19 - pg 331"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the osmotic pressure\n",
+ "#initialisation of variables\n",
+ "kf= 1.86\n",
+ "dT= 0.402 #K\n",
+ "T= 310 #K\n",
+ "R= 0.08205 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "P= dT*T*R/kf\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' osmotic pressure =',P,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " osmotic pressure = 5.50 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 20 - pg 333"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Degrees of ionisation\n",
+ "#initialisation of variables\n",
+ "m= 0.100 #gms\n",
+ "kf= 1.86 #K/gms\n",
+ "dT= 0.300 #K\n",
+ "v= 2\n",
+ "#CALCULATIONS\n",
+ "T= kf*m\n",
+ "i= dT/T\n",
+ "a= (i-1)/(v-1)\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % (' Degrees of ionisation = ',a)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Degrees of ionisation = 0.61\n"
+ ]
+ }
+ ],
+ "prompt_number": 17
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 21 - pg 335"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the lowering of the freezing point\n",
+ "#initialisation of variables\n",
+ "W= 0.0020 #M\n",
+ "W1= 0.0010 #M\n",
+ "W2= 0.0040 #M\n",
+ "T= 1.86 #C\n",
+ "n= 1 #moles\n",
+ "n1= 1 #moles\n",
+ "n2= 2 #moles\n",
+ "a= 1.122\n",
+ "#CALCULATIONS\n",
+ "dT= T*(W+W1+W2)\n",
+ "I= 0.5*(n**2*W+n1**2*W2+n2**2*W1)\n",
+ "g= 1-(2*a*I**1.5/(3*(W+W1+W2)))\n",
+ "dT1= g*dT\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' lowering the freezing point =',dT1,'C ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " lowering the freezing point = 0.0125 C \n"
+ ]
+ }
+ ],
+ "prompt_number": 18
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 22 - pg 338"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the activity coefficient of acetone and water\n",
+ "#initialisation of variables\n",
+ "p= 1820 #mm\n",
+ "n= 2.5 #mole percent\n",
+ "f= 0.470\n",
+ "P= 420 #mm\n",
+ "n1= 97.5 #percent\n",
+ "#CALCULATIONS\n",
+ "P1= p*n/(100*760)\n",
+ "F= f/P1\n",
+ "F1= (1-f)*760.*100/(P*n1)\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % (' activity coefficient of acetone = ',F)\n",
+ "print '%s %.2f' % (' \\n activity coefficient of water = ',F1)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " activity coefficient of acetone = 7.85\n",
+ " \n",
+ " activity coefficient of water = 0.98\n"
+ ]
+ }
+ ],
+ "prompt_number": 19
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_6.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_6.ipynb new file mode 100755 index 00000000..88034fe1 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_6.ipynb @@ -0,0 +1,712 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:e8a56bec98c8dfc26716196236590a8e6e7a9f919a9f30f91ea12d37d82b5d68"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 6 - Chemical Equilibrium"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 353"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the value of Kc\n",
+ "#initialisation of variables\n",
+ "d= 3.880 #g l^-1\n",
+ "M= 208.3 #gm\n",
+ "P= 1 #atm\n",
+ "R= 0.08205 #cal/mol K\n",
+ "T= 473.1 #K\n",
+ "#CALCULATIONS\n",
+ "d1= M*P/(R*T)\n",
+ "d2= (d1-d)/d\n",
+ "Kp= d2**2/(1-d2**2)\n",
+ "Kc= Kp/(R*T)\n",
+ "#RESULTS\n",
+ "print '%s %.3e %s' %(' Kc =',Kc,'moles l^-1')\n",
+ "print '%s %.4f %s' %(' Kp =',Kp,'atm')\n",
+ "print '%s %.4f' %('Fraction dissociated = ',d2)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Kc = 4.429e-03 moles l^-1\n",
+ " Kp = 0.1719 atm\n",
+ "Fraction dissociated = 0.3830\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 353"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the percentage of Pcl5 dissociated\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "P= 10 #atm\n",
+ "Kp= 0.1719\n",
+ "#CALCULATIONS\n",
+ "a= math.sqrt(Kp/(10+Kp))*100\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' percentage =',a,'percent')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " percentage = 13.000 percent\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 354"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the value of Kp\n",
+ "#initialisation of variables\n",
+ "P= 0.3429 #atm\n",
+ "p0= 0.3153 #atm\n",
+ "#CALCULATIONS\n",
+ "Kp= (2*(P-p0))**2/(2*p0-P)\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' Kp =',Kp,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Kp = 1.06e-02 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 355"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure required\n",
+ "#initialisation of variables\n",
+ "Kp= 1.06*10**-2 #atm\n",
+ "a= 0.990\n",
+ "#CALCULATIONS\n",
+ "P= Kp*(1-a**2)/(4*a**2)\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' pressure =',P,' atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " pressure = 5.38e-05 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 357"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pressure required\n",
+ "#initialisation of variables\n",
+ "G= 2054.7 #cal\n",
+ "R= 1.9872 #cal/mol K\n",
+ "T= 298.16 #K\n",
+ "#CALCULATIONS\n",
+ "P= 10**(-G/(2.303*T*R))\n",
+ "#RESULTS\n",
+ "print '%s %.5f %s' % (' pressure =',P,'atm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " pressure = 0.03120 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 359"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the solubility product constant\n",
+ "#initialisation of variables\n",
+ "T= 25 #C\n",
+ "H= 25.31 #cal\n",
+ "H1= -40.02 #cal\n",
+ "H2= -30.36 #cal\n",
+ "S1= 17.67 #cal deg^-1\n",
+ "S2= 13.17 #cal deg^-1\n",
+ "S3= -22.97 #cal deg^-1\n",
+ "R= 1.987 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "H3= (H+H1-H2)*1000\n",
+ "S4= S1+S2+S3\n",
+ "G= H3-(273.2+T)*S4\n",
+ "Ka= 10**(-G/(2.303*R*(273.2+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.1e' %(' solubility product constant = ',Ka)"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " solubility product constant = 1.8e-10\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 359"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the increase in free energy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "T= 25 #C\n",
+ "H= -36430 #cal\n",
+ "S= -4.19 #cal deg^-1\n",
+ "a= 0.1\n",
+ "f= 0.2\n",
+ "R= 1.987 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "G= H-(273.2+T)*S\n",
+ "Q= a*f/a**2\n",
+ "G1= G+R*(273.2+T)*math.log(Q)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' increase in free energy =',G1, 'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " increase in free energy = -34769.8 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 361"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the free energy of formation\n",
+ "#initialisation of variables\n",
+ "H= 21600. #cal\n",
+ "S= 50.339 #cal\n",
+ "S1= 49.003 #cal\n",
+ "S2= 45.767 #cal\n",
+ "T= 298.2 #K\n",
+ "#CALCULATIONS\n",
+ "H1= 2*H\n",
+ "S1= 2*S-S1-S2\n",
+ "G= H1-T*S1\n",
+ "Gj= G/(2*1000)\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' free energy of formation =',Gj,'kcal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " free energy of formation = 20.719 kcal\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 361"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the range of humidity\n",
+ "#initialisation of variables\n",
+ "R= 1.987 #cal/mol K\n",
+ "T= 25. #C\n",
+ "G1= -193.8 #cal\n",
+ "G2= -54.6 #cal\n",
+ "G3= -253.1 #cal\n",
+ "G4= -253.1 #cal\n",
+ "G5= -54.6 #cal\n",
+ "G6= -309.7 #cal\n",
+ "#CALCULATIONS\n",
+ "G= G1+G2-G3\n",
+ "Ph= 10**(-G*10**3/(2.303*R*(273.2+T)))\n",
+ "G0= G4+G5-G6\n",
+ "Ph1= 10**(-G0*10**3/(2.303*R*(273.2+T)))\n",
+ "p= Ph*100./Ph1\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' %(' range of humidity =',p,'percent')\n",
+ "print 'The answers are a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " range of humidity = 1.05 percent\n",
+ "The answers are a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 362"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Ksp\n",
+ "#initialisation of variables\n",
+ "m= 10**-2\n",
+ "m1= 10**-22\n",
+ "G= -22.15 #kcal\n",
+ "G1= -5.81 #kcal\n",
+ "G2= 20.6 #kcal\n",
+ "T= 25 #C\n",
+ "R= 1.987 #cal/mol K\n",
+ "#CALCULATIONS\n",
+ "G3= G-(G1+G2)\n",
+ "Ksp= 10**(G3*10**3/(2.303*R*(273+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.0e' %(' Ksp = ',Ksp)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Ksp = 8e-28\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - pg 366"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the heat of dissociation and standard free energy of iodine\n",
+ "%matplotlib inline\n",
+ "import numpy\n",
+ "import math\n",
+ "import matplotlib\n",
+ "from matplotlib import pyplot\n",
+ "import warnings\n",
+ "#initialization of variables\n",
+ "R=1.987\n",
+ "T=1000 #K\n",
+ "T=numpy.array([973.,1073.,1173.,1274.])\n",
+ "kp=numpy.array([.175e-2,1.108e-2,4.87e-2,17.05e-2])\n",
+ "#calculations\n",
+ "Tx=1000./T\n",
+ "logkp=numpy.log10(kp)\n",
+ "slope, intercept = numpy.polyfit(Tx,logkp,1)\n",
+ "dH=-slope*2.303*R*1000.\n",
+ "dH0=dH-1.5*R*T\n",
+ "dG1=-R*T*logkp[1]*2.303\n",
+ "dGt=28720 #cal\n",
+ "dGI=(dGt/1000. + 4.63)/2\n",
+ "#results\n",
+ "print '%s %d %s' %('Heat of dissociation = ',dH,'cal')\n",
+ "print '%s %.2f %s' %('standard free energy of iodine atom = ',dGI,'kcal/mol')\n",
+ "pyplot.plot(Tx,logkp)\n",
+ "pyplot.xlabel('1000/T')\n",
+ "pyplot.ylabel('log Kp')\n",
+ "pyplot.title('Logarithm of Kp for dissociation of Iodine as a function of reciprocal temperature')\n",
+ "pyplot.show()\n",
+ "warnings.filterwarnings(\"ignore\")\n",
+ "print 'The answers are a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Heat of dissociation = 37460 cal\n",
+ "standard free energy of iodine atom = 16.68 kcal/mol\n"
+ ]
+ },
+ {
+ "metadata": {},
+ "output_type": "display_data",
+ "png": 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LJbr3Xjj+eNhlF7jwQlh22awjEpmfTr+npyoqdTPbi1Ct/w04EpgITDWzvcxs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\nIiI5oaQuIiKSE0rqIiIiOfH/AVD524dASlmNAAAAAElFTkSuQmCC\n",
+ "text": [
+ "<matplotlib.figure.Figure at 0x5925a10>"
+ ]
+ },
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "The answers are a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 361"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Partial pressure\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "T= 2000 #K\n",
+ "P= 1 #atm\n",
+ "G= 41438 #cal\n",
+ "R= 1.987 #cal/mol K\n",
+ "T2= 298.2 #K\n",
+ "T1= 2000 #K\n",
+ "H= 43200 #cal\n",
+ "#CALCULATIONS\n",
+ "Kp= 10**(-G/(2.303*R*T2))\n",
+ "Kp1= Kp*10**(H*(T-T2)/(2.303*R*T1*T2))\n",
+ "p= math.sqrt(Kp1*0.8*0.2)\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' Partial pressure of NO =',p,'atm ')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Partial pressure of NO = 7.7e-03 atm \n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 15 - pg 368"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Temperature required\n",
+ "#initialisation of variables\n",
+ "G0 = 0 #cal\n",
+ "G= 13200. #cal\n",
+ "T1= 298.2\n",
+ "H1= 23100. #cal\n",
+ "#CALCULATIONS\n",
+ "T= H1/((H1/T1)-(G/T1)+(G0/T1))\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Temperature =',T,' K ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Temperature = 695.8 K \n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 373"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Equilibrium constant\n",
+ "#initialisation of variables\n",
+ "T= 2000 #K\n",
+ "R= 1.987 #cal /mol K\n",
+ "G= 31160 #cal\n",
+ "#CALULATIONS\n",
+ "Kp= 10**(-G/(2.303*R*T))\n",
+ "#RESULTS\n",
+ "print '%s %.2e' % ('Equilibrium constant =',Kp )\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Equilibrium constant = 3.94e-04\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 17 - pg 373"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the fraction of methane decomposed\n",
+ "#initialisation of variables\n",
+ "p= 0.08 #atm\n",
+ "#CALCULATIONS\n",
+ "a= (1-p)/(p+1)\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % ('fraction = ',a)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "fraction = 0.85\n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 374"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the enthalpy of the reaction\n",
+ "#initialisation of variables\n",
+ "H= -57240. #cal\n",
+ "T= 2257. #C\n",
+ "Hh= -54.60 #cal\n",
+ "Ho= -38.56 #cal\n",
+ "HO= -57.08 #cal\n",
+ "#CALCULATIONS\n",
+ "H1= H-T*(2*Hh-2*Ho-HO)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Enthalpy =',H1,'cal')\n",
+ "print 'The answers in the textbook are a different due to a rounding off error '"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -113665.0 cal\n",
+ "The answers in the textbook are a different due to a rounding off error \n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 19 - pg 375"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Enthalpy\n",
+ "#initialisation of variables\n",
+ "H= -57797 #cal\n",
+ "T= 25 #C\n",
+ "Hh= 7.934 #cal\n",
+ "Ho= -6.788 #cal\n",
+ "HO= 6.912 #cal\n",
+ "#CALCULATIONS\n",
+ "H1= 2*H-(T+273.16)*(2*Hh+2*Ho-HO)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Enthalpy =',H1,'cal ')\n",
+ "print 'The answers in the textbook are a different due to a rounding off error '"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Enthalpy = -114216.5 cal \n",
+ "The answers in the textbook are a different due to a rounding off error \n"
+ ]
+ }
+ ],
+ "prompt_number": 17
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_7.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_7.ipynb new file mode 100755 index 00000000..d0564a44 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_7.ipynb @@ -0,0 +1,1029 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:3529f6dd0800b2bdaab8573a3a6af2c519dc83ab93935a987777c3348bc812ea"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 7 - Electrochemistry"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 391"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Avagadro number\n",
+ "#initialisation of variables\n",
+ "e= 1.6016*10**-19 #coloumb\n",
+ "F= 96493 #\n",
+ "#CALCULATIONS\n",
+ "N= F/e\n",
+ "#RESULTS\n",
+ "print '%s %.4e %s' % (' Avagadro number = ',N,'molecules/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Avagadro number = 6.0248e+23 molecules/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 391"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Time required\n",
+ "#initialisation of variables\n",
+ "m= 1 #gms\n",
+ "M= 63.54 #gms\n",
+ "e= 2 #farady\n",
+ "F= 96493\n",
+ "n= 3\n",
+ "#CALCULATIONS\n",
+ "t= (m/M)*(e*F/n)\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Time =',t,'sec')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Time = 1012 sec\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 396"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the transference number\n",
+ "#initialisation of variables\n",
+ "M= 25.01 #gms\n",
+ "n= 1.0053 #moles\n",
+ "n1= 6.6*10**-5 #moles\n",
+ "e= 1.350*10**-3 #coloumbs\n",
+ "#CALCULATIONS\n",
+ "x= M/n\n",
+ "y= n1*x\n",
+ "nm= y*10**3+e*10**3-(x/10)\n",
+ "t= nm/(e*10**3)\n",
+ "#CALCULATIONS\n",
+ "print '%s %.3f' % (' transference number = ',t)"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " transference number = 0.373\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 404"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the electrokinetic potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "x= 0.033 #cm\n",
+ "t= 38.2 #sec\n",
+ "e= 3.2 #v\n",
+ "V= 9*10**-3 #dyne sec cm**-2\n",
+ "k= 78\n",
+ "#CALCULATIONS\n",
+ "v= x/t\n",
+ "u= v/e\n",
+ "S= -300**2*u*V*4*math.pi/k\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' electrokinetic potential =',S,' volt ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " electrokinetic potential = -0.035 volt \n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 406"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the specific conductivity\n",
+ "#initialisation of variables\n",
+ "o= 0.999505 #mho cm^-1\n",
+ "k= 0.0128560\n",
+ "i= 97.36 #ohms\n",
+ "I= 117.18 #ohms\n",
+ "#CALCULATIONS\n",
+ "Lsp= k*o\n",
+ "L1sp= k*i/I\n",
+ "#RESULTS\n",
+ "print '%s %.6f %s' % (' specific conductivity =',L1sp,'mho cm^-1 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " specific conductivity = 0.010682 mho cm^-1 \n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 410"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the equivalent conductance of the anion at infinite dilution\n",
+ "#initialisation of variables\n",
+ "A= 388.5\n",
+ "l= 349.8\n",
+ "a= 0.61\n",
+ "m= 0.1 #M\n",
+ "#CALCULATIONS\n",
+ "L= A-l\n",
+ "A1= a*A\n",
+ "Lsp= m*A1/1000.\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' equivalent conductance of the anion at infinite dilution =',Lsp,' mho cm^-1 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " equivalent conductance of the anion at infinite dilution = 2.37e-02 mho cm^-1 \n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 410"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the effective mobility\n",
+ "#initialisation of variables\n",
+ "l= 349.82 \n",
+ "F= 96493.1 #coloumb\n",
+ "#CALCULATIONS\n",
+ "u= l/F\n",
+ "#RESULTS\n",
+ "print '%s %.3e %s' % (' effective mobility =',u,'cm^2 volt sec^-1 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " effective mobility = 3.625e-03 cm^2 volt sec^-1 \n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 413"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the solubility product constant\n",
+ "#initialisation of variables\n",
+ "G1= -7800 #cal\n",
+ "G2= -24600 #cal\n",
+ "G3= -39700 #cal\n",
+ "R= 1.987 #cal/mol K\n",
+ "T= 25 #C\n",
+ "#CALCULATIONS\n",
+ "G= G1+G2-G3\n",
+ "Ksp= 10**(-G/(2.303*R*(273.2+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.1e' % (' solubility product constant = ',Ksp)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " solubility product constant = 4.5e-06\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 417"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the concentration of hydrogen ion\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "Ka= 6*10**-10\n",
+ "C= 10**-1 #moles l^-1\n",
+ "#CALCULATIONS\n",
+ "C1= math.sqrt(Ka*C)\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' concentration of hydrogen ion =',C1,'moles l^-1 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " concentration of hydrogen ion = 7.7e-06 moles l^-1 \n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 13 - pg 419"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the concentration of hydrogen ion\n",
+ "#initialisation of variables\n",
+ "Ka= 1.8*10**-5 \n",
+ "n= 2 #milli moles\n",
+ "v= 45 #ml\n",
+ "n1= 0.5#milli moles\n",
+ "#CALCULATIONS\n",
+ "x= Ka*v*n1/n\n",
+ "C= x/v\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' concentration of hydrogen ion =',C,' moles l^-1 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " concentration of hydrogen ion = 4.5e-06 moles l^-1 \n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 14 - pg 421"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the pH of the solution and activity coefficient\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "a= 2.4*10**-4\n",
+ "Ph= 11.54\n",
+ "#CALCULATIONS\n",
+ "Ph1= -math.log10(a)\n",
+ "a= 10**(-Ph)\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % (' pH of solution = ',Ph1)\n",
+ "print '%s %.1e' % (' \\n activity coefficient = ',a)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " pH of solution = 3.62\n",
+ " \n",
+ " activity coefficient = 2.9e-12\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 15 - pg 426"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Gibbs free energy\n",
+ "#initialisation of variables\n",
+ "E= 0.35240 #volts\n",
+ "F= 96493.1 #coloumb\n",
+ "n= 2 #electrons\n",
+ "#CALCULATIONS\n",
+ "G= -n*F*E\n",
+ "#RESULTS\n",
+ "print '%s %d %s' % (' Gibbs free energy =',G,' absolute joules ')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Gibbs free energy = -68008 absolute joules \n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 16 - pg 428"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Entropy and Enthalpy of the mixture\n",
+ "#initialisation of variables\n",
+ "E= 0.35240 #volts\n",
+ "E1= 0.35321 #volts\n",
+ "E2= 0.35140 #volts\n",
+ "E3=.35252\n",
+ "T= 25. #C\n",
+ "T1= 20. #C\n",
+ "T2= 30. #C\n",
+ "n= 2. #electrons\n",
+ "F= 96493.1 #coloumb\n",
+ "#CALCULATIONS\n",
+ "r= (E-E1)/(T-T1)\n",
+ "r1= (E2-E)/(T2-T)\n",
+ "R= (r+r1)/2\n",
+ "S= n*F*R\n",
+ "H= n*F*((273.16+T)*R-E3)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Entropy =',S,'joules deg^-1')\n",
+ "print '%s %.1f %s' % (' \\n Enthalpy =',H,'joules')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Entropy = -34.9 joules deg^-1\n",
+ " \n",
+ " Enthalpy = -78446.4 joules\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 13
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 18 - pg 431"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Gibbs free energy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "v= 0.11834 #volt\n",
+ "F= 96493.1 #coloumb\n",
+ "n= 1 #electron\n",
+ "R= 8.3144 #J/mol K\n",
+ "T= 25 #C\n",
+ "m= 0.1\n",
+ "m1= 0.9862\n",
+ "#CALCULATIONS\n",
+ "G= -n*F*v\n",
+ "G1= 2*R*(273.16+T)*math.log(m/m1)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Gibbs free energy =',G,'joules')\n",
+ "print '%s %d %s' % (' \\n Gibbs free energy =',G1,'joules')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Gibbs free energy = -11419.0 joules\n",
+ " \n",
+ " Gibbs free energy = -11347 joules\n"
+ ]
+ }
+ ],
+ "prompt_number": 14
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 19 - pg 432"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the potential difference\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "n= 2 #electrons\n",
+ "R= 8.314 #bJ/mol K\n",
+ "F= 96493 #coloumb\n",
+ "T= 25 #C\n",
+ "N2= 3.17*10**-6\n",
+ "N1= 6.13*10**-3\n",
+ "#CALCULATIONS\n",
+ "E= -(R*(273.16+T)*2.3026/(n*F))*math.log10(N2/N1)\n",
+ "#RESULTS\n",
+ "print '%s %.5f %s' % (' potential difference =',E,' volt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " potential difference = 0.09720 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 15
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 20 - pg 432"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Equilibrium constant\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "E= 0.84 #volts\n",
+ "n= 1 #electron\n",
+ "F= 96500 #coloumb\n",
+ "R= 8.314 #J/mol K\n",
+ "T= 25 #C\n",
+ "#CALCULATIONS\n",
+ "K= math.e**(E*n*F/(R*(273+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.1e' % (' Equilibrium constant =',K)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Equilibrium constant = 1.6e+14\n"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 21 - pg 432"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Equilibrium constant\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "E= -0.0029 #volts\n",
+ "V= 0.1 #volts\n",
+ "V1= 0.05 #volts\n",
+ "f= 0.05916 #J/mol coloumb\n",
+ "T= 25. #C\n",
+ "F= 96500 #coloumb\n",
+ "R= 8.314 #J/mol K\n",
+ "#CALCULATIONS \n",
+ "e= E+f*math.log10(V*V1/V1)\n",
+ "K= math.e**(e*F/(R*(273+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.1e' % (' Equilibrium constant =',K)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Equilibrium constant = 8.9e-02\n"
+ ]
+ }
+ ],
+ "prompt_number": 17
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 22 - pg 438"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Standard electrode potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "E= 1.0508 #volts\n",
+ "V= 0.3338 #volts\n",
+ "a= 0.0796 \n",
+ "a1= math.sqrt(0.0490)\n",
+ "f= 0.05916 #J/mol coloumb\n",
+ "#CALCULATIONS\n",
+ "V= E+V+f*math.log10(a/a1)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' Standard electrode potential =',V,'volts')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Standard electrode potential = 1.3583 volts\n"
+ ]
+ }
+ ],
+ "prompt_number": 18
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 23 - pg 438"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Standard molar free energy\n",
+ "#initialisation of variables\n",
+ "V= 1.3595 #volts\n",
+ "n= 1 #electron\n",
+ "F= 96493 #coloumb\n",
+ "#CALCULATIONS\n",
+ "G= -n*F*V/4.28\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Standard molar free energy =',G,'cal')\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Standard molar free energy = -30650.1 cal\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 19
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 24 - pg 439"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the ion product\n",
+ "#Initialization of variables\n",
+ "import math\n",
+ "I=0.0050\n",
+ "E0=.22619\n",
+ "con=.0602\n",
+ "E2=1.05080\n",
+ "R=8.3144\n",
+ "T=298.16 #K\n",
+ "#calculations\n",
+ "E1=E0-con*math.sqrt(I)\n",
+ "E3=-E2+E1\n",
+ "Kw=10**(E3*96493/2.3026/R/T)\n",
+ "#results\n",
+ "print '%s %.3e' %(\"Ion product = \",Kw)\n",
+ "print 'The answer is a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Ion product = 9.741e-15\n",
+ "The answer is a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 20
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 25 - pg 440"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Solubility constant\n",
+ "#initialisation of variables\n",
+ "V= -0.658 #volt\n",
+ "V1= -0.3363 #volt\n",
+ "n= 1 #electron\n",
+ "F= 96438 #coloumb\n",
+ "R= 8.314 #j/mol K\n",
+ "T= 25 #C\n",
+ "#CLACULATIONS\n",
+ "V2= V-V1\n",
+ "Ksp= 10**(V2*n*F/(2.303*R*(273.2+T)))\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' Solubility constant =',Ksp,' volt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Solubility constant = 3.7e-06 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 21
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 26 - pg 440"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the cell potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "e= 0\n",
+ "e1= -0.37\n",
+ "k= -0.05916 #j/mol\n",
+ "a= 0.02\n",
+ "a1= 0.01\n",
+ "a3=.2\n",
+ "p= 730. #mm of Hg\n",
+ "#CALCULATIONS\n",
+ "E= (e-e1)+k*math.log10(a*math.sqrt(p/760.) /a1/a3)\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' cell potential =',E,'volt') \n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " cell potential = 0.31 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 22
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 27 - pg 440"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the cell potential\n",
+ "#initialisation of variables\n",
+ "V= -0.440 #volt\n",
+ "V1= 0.771 #volt\n",
+ "F= 96500 #coloumb\n",
+ "n=2 #electrons\n",
+ "n1= 1 #electrons\n",
+ "n2= 3 #electrons\n",
+ "#CALCULATIONS\n",
+ "G= -n*F*V\n",
+ "G1= -n1*F*V1\n",
+ "G2= G+G1\n",
+ "V= G2/(n2*F)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' cell potential =',-V,'volt') \n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " cell potential = -0.0363 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 23
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 28 - pg 444"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the cell potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "p1=386.6 #atm\n",
+ "p2=1 #atm\n",
+ "f= 2\n",
+ "k= -0.05916 #j/mol\n",
+ "#CALCULATIONS\n",
+ "E= (k/f)*math.log10(p1/p2)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' cell potential =',E,'volt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " cell potential = -0.0765 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 24
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 29 - pg 445"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the cell potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "c= 10**-7\n",
+ "c1= 1\n",
+ "f= 1\n",
+ "k= -0.05915 #j/mol\n",
+ "#CALCULATIONS\n",
+ "E= (k/f)*math.log10(c/c1)\n",
+ "#RESULTS\n",
+ "print '%s %.5f %s' % (' cell potential =',E,' volt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " cell potential = 0.41405 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 25
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 30 - pg 448"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the junction potential\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "c= 391.\n",
+ "c1= 129.\n",
+ "f= 1.\n",
+ "k= -0.05915 #j/mol\n",
+ "#CALCULATIONS\n",
+ "E= (k/f)*math.log10(c1/c)\n",
+ "#RESULS\n",
+ "print '%s %.4f %s' % (' junction potential =',E,'volt')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " junction potential = 0.0285 volt\n"
+ ]
+ }
+ ],
+ "prompt_number": 26
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_8.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_8.ipynb new file mode 100755 index 00000000..c1054064 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_8.ipynb @@ -0,0 +1,440 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:e7ff5ec8c26bca61ce95f7f9a6bfe9182508039293520fdb892a47c60afd9608"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 8 - Quantum chemistry"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 460"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Wavelength\n",
+ "#initialisation of variables\n",
+ "v= 299.8 #V\n",
+ "e= 4.802*10**-10 #ev\n",
+ "h= 6.624*10**-27 #ergs sec\n",
+ "c= 3*10**10 #cm/sec\n",
+ "#CALCULATIONS\n",
+ "E= e/v\n",
+ "l= h*c*10**8/(2*E)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Wavelength =',l,'A')\n",
+ "print 'The answers are a bit different due to rounding off error in textbook'"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Wavelength = 6203.3 A\n",
+ "The answers are a bit different due to rounding off error in textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 462"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the value of numerical coefficient\n",
+ "#initialisation of variables\n",
+ "u= 109677.583 #cm**-1\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' value of numerical coefficient =',u,' cm')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " value of numerical coefficient = 109677.6 cm\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 464"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the wavelength in both cases\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "h= 6.6234*10**-27 #ergs sec\n",
+ "m= 2.59 #gms\n",
+ "v= 3.35*10**4 #cm sec **-1\n",
+ "e= 4.8*10**-10 #ev\n",
+ "V= 40000. #volts\n",
+ "M= 300. #gms\n",
+ "L= 1836. #A\n",
+ "N= 6*10**23 #molecules\n",
+ "#CALCULATIONS\n",
+ "p= m*v\n",
+ "l= h/p\n",
+ "E= V*e/M\n",
+ "P= math.sqrt(2*E*(1/(L*N)))\n",
+ "L1= h*10**8/P\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' wavelength =',l,'cm')\n",
+ "print '%s %.4f %s' % (' \\n wavelength =',L1,'A')"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " wavelength = 7.63e-32 cm\n",
+ " \n",
+ " wavelength = 0.0614 A\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 471"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the lifetime of this excited state\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "h= 6.624*10**-27 #ergs sec\n",
+ "c= 3*10**10 #cm/sec\n",
+ "u= 5 #cm**-1\n",
+ "#CALCULATIONS \n",
+ "T= h/(h*2*math.pi*c*u)\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' lifetime of this excited state =',T,'sec')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " lifetime of this excited state = 1.1e-12 sec\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 471"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the lifetime\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "V= 2.5*10**4 #m/sec\n",
+ "m= 30 #gms\n",
+ "s= 10*10**-16 #cm**2\n",
+ "N= 6.023*10**23 #molecules\n",
+ "T= 300 #K\n",
+ "k= 8.3*10**7\n",
+ "#CALCULATIONS\n",
+ "t= math.sqrt((m/(math.pi*k*T)))*(V/(4*s*N))\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' lifetime =',t,' sec')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " lifetime = 2.0e-10 sec\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 494"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the internuclear distances\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "h= 6.6238*10**-27 #ergssec\n",
+ "N= 6.0254*10**23 #molecules\n",
+ "c= 2.9979*10**10\n",
+ "Be= 60.809\n",
+ "mh= 1.00812 #gms\n",
+ "#CALCULATIONS\n",
+ "u= mh/2.\n",
+ "Re= math.sqrt(h*N/(c*8*math.pi**2*Be*u))\n",
+ "#RESULTS\n",
+ "print '%s %.4e %s' % (' internuclear distances =',Re,'cm ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " internuclear distances = 7.4168e-09 cm \n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 497"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Resonance energy\n",
+ "#initialisation of variables\n",
+ "H= 19.8 #kcal\n",
+ "H1= -0.8 #kcal\n",
+ "H2= -29.4 #kcal\n",
+ "#CALCULATIONS\n",
+ "H3= -85.8\n",
+ "H4= -49.2\n",
+ "H5= -H3+H4\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' Resonance energy =',H5,'cal')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Resonance energy = 36.6 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 500"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the no of bonds\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "R= 1.69 #A\n",
+ "l= 1.49 #A\n",
+ "r= 0.706\n",
+ "#CALCULATIONS\n",
+ "n= 10**((R-l)/r)\n",
+ "#RESULTS\n",
+ "print '%s %.2f' % (' no of bonds = ',n)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " no of bonds = 1.92\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 504"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the lattice energy\n",
+ "#initialisation of variables\n",
+ "N= 6.*10**23 #molecules\n",
+ "R= 2.82 #A\n",
+ "e= 4.8*10**-10 #ev\n",
+ "n= 9.\n",
+ "z= 1.748\n",
+ "#CALCULATIONS\n",
+ "U= (N*z*e**2*(1-(1/n)))*182.2/(R*10**-8*7.63*10**12)\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' lattice energy =',U,'kcal mole**-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " lattice energy = 181.9 kcal mole**-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 507"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the least energy required for transfer\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "k= 13\n",
+ "e= 4.8*10**-10 #ev\n",
+ "h= 6.624*10**-27 #ergs sec\n",
+ "N= 6.023*10**23 #molecules\n",
+ "l= 1836 #A\n",
+ "#CALCULATIONS\n",
+ "I= e**4*0.080/(l*N*1.28*10**-13*2*k**2*(h/(2*math.pi))**2)\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' least energy required for transfer=',I,' ev')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " least energy required for transfer= 0.08 ev\n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 12 - pg 509"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the difference between potentials\n",
+ "#initialisation of variables\n",
+ "i= 54.4 #ev\n",
+ "i1= 24.6 #ev\n",
+ "k= 2.5 \n",
+ "#CALCULATIONS\n",
+ "I= i/(4*k**2)\n",
+ "I1= i1/(4*k**2)\n",
+ "d= I-I1\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' difference between first and second potential=',d,'ev')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " difference between first and second potential= 1.2 ev\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/Chapter_9.ipynb b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_9.ipynb new file mode 100755 index 00000000..1a10b96e --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/Chapter_9.ipynb @@ -0,0 +1,101 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:39eab768daff11aebdd87a93356bef21d5d2b1bdfeb10c1efcd7ba6d3163e0fd"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 9 - Statistical Mechanics"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 525"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Absolute Entropy\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "T= 298.16 #K\n",
+ "M= 4.003 #gm\n",
+ "S= 2.3151 #cal mol^-1 deg^-1\n",
+ "R= 1.987 #cal/molK\n",
+ "#CALCULATIONS\n",
+ "S1= 2.5*R*math.log(T)+1.5*R*math.log(M)-S\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Absolute Entropy=',S1,'cal mol^-1 deg^-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Absolute Entropy= 30.122 cal mol^-1 deg^-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 528"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the heat required\n",
+ "#initialisation of variables\n",
+ "h= 6.624*10**-27#erg/sec\n",
+ "N= 6.023*10**23\n",
+ "c= 3*10**10 #m/sec\n",
+ "w= 2359.6 #cm**-1\n",
+ "T= 2000 #K\n",
+ "K= 1.380*10**-16\n",
+ "R= 1.987 #cal mol**-1 k**-1\n",
+ "#CALCULATIONS\n",
+ "x= h*c*w/(K*T)\n",
+ "y= 2.71**x\n",
+ "H= 3.5*R+(N*h*c*w/(T*4.184*10**7*(y-1)))\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' Heat=',H,'cal mol**-1 deg**-1')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Heat= 7.715 cal mol**-1 deg**-1\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/README.txt b/Physical_Chemsitry_by_William_F_Sheehan/README.txt new file mode 100755 index 00000000..c00237f7 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/README.txt @@ -0,0 +1,10 @@ +Contributed By: Jaya Pratyusha Kothuri +Course: btech +College/Institute/Organization: Sri Mittapalli College of Engineering +Department/Designation: Computer Science and Engineering +Book Title: Physical Chemsitry +Author: William F Sheehan +Publisher: Allyn And Bacon, U. S. A. +Year of publication: 1961 +Isbn: 0070153019 +Edition: 1
\ No newline at end of file diff --git a/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap3.png b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap3.png Binary files differnew file mode 100755 index 00000000..832091f2 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap3.png diff --git a/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap4.png b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap4.png Binary files differnew file mode 100755 index 00000000..e2646978 --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap4.png diff --git a/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap6.png b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap6.png Binary files differnew file mode 100755 index 00000000..1b82351b --- /dev/null +++ b/Physical_Chemsitry_by_William_F_Sheehan/screenshots/chap6.png |
