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Diffstat (limited to 'Thermodynamics_for_Chemists')
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diff --git a/Thermodynamics_for_Chemists/README.txt b/Thermodynamics_for_Chemists/README.txt new file mode 100755 index 00000000..ef391704 --- /dev/null +++ b/Thermodynamics_for_Chemists/README.txt @@ -0,0 +1,10 @@ +Contributed By: Paritosh Mehta +Course: me +College/Institute/Organization: GTU +Department/Designation: VLSI +Book Title: Thermodynamics for Chemists +Author: S. Galsstone +Publisher: D. Van Nostrand +Year of publication: 1990 +Isbn: 9788176710145 +Edition: 8
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch1.ipynb b/Thermodynamics_for_Chemists/ch1.ipynb new file mode 100755 index 00000000..dbb8f3fa --- /dev/null +++ b/Thermodynamics_for_Chemists/ch1.ipynb @@ -0,0 +1,199 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:6bc091a7df60a18f534957b667a129c222bd914be53352e82176eb63d1e4fae8" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 1 : Heat work and energy" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 1.1 Page No : 7" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "q = 26.45 \t\t\t#coloumbs\n", + "e = 2.432 \t\t\t#volts\n", + "\n", + "# Calculations\n", + "Q1 = q*e\n", + "Q2 = Q1*1.0002*10**7\n", + "\n", + "# Results\n", + "print 'Energy expenditure in joules = %.2f int.joules'%(Q1)\n", + "print ' Energy expenditure in ergs = %.2e ergs'%(Q2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Energy expenditure in joules = 64.33 int.joules\n", + " Energy expenditure in ergs = 6.43e+08 ergs\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 1.2 Page No : 9" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "I = 0.565 \t\t\t#amp\n", + "R = 15.43 \t\t\t#ohms\n", + "t = 185 \t\t\t#secs\n", + "Tr = 0.544 \t\t\t#C\n", + "\n", + "# Calculations\n", + "Q1 = I**2*R*t\n", + "Q2 = I**2*R*t/Tr\n", + "\n", + "# Results\n", + "print 'Heat capacity = %.f int.joules deg**-1'%(Q2)\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat capacity = 1675 int.joules deg**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 1.3 Page No : 10" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "I = 0.565 \t\t\t#amp\n", + "R = 15.43 \t\t\t#ohms\n", + "t = 185 \t\t\t#secs\n", + "Tr = 0.544 \t\t\t#C\n", + "\n", + "# Calculations\n", + "Q1 = I**2*R*t\n", + "Q2 = I**2*R*t/(Tr*4.183)\n", + "\n", + "# Results\n", + "print 'Heat capacity = %.1f calories'%(Q2)\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat capacity = 400.4 calories\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 1.4 Page No : 11" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "v = 1. \t\t\t#lit\n", + "p = 1. \t \t\t#atm\n", + "h = 76. \t\t\t#cm\n", + "d = 13.595 \t\t\t#kg/cm**3\n", + "g = 980.66 \t\t\t#dunes cm**-2\n", + "j = 4.18 \t\t\t#joules\n", + "\n", + "# Calculations\n", + "W = v*p\n", + "W1 = h*d*g\n", + "W2 = W1*10**-4\n", + "W3 = W2/j\n", + "\n", + "# Results\n", + "print 'Work done in lit-atm = %.f lit-atm'%(W)\n", + "print ' Work done in dynes = %.2e dynes cm**-2'%(W1)\n", + "print ' Work done in ergs = %.2e ergs'%(W2)\n", + "print ' Work done in calories = %.2f calories'%(W3)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Work done in lit-atm = 1 lit-atm\n", + " Work done in dynes = 1.01e+06 dynes cm**-2\n", + " Work done in ergs = 1.01e+02 ergs\n", + " Work done in calories = 24.24 calories\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch11.ipynb b/Thermodynamics_for_Chemists/ch11.ipynb new file mode 100755 index 00000000..cb279692 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch11.ipynb @@ -0,0 +1,386 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:24358c055307caa3764298de0f3c55c7302f3945715dac67660be1528e9deeb6" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 11 : Phase Equilibria" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.1 Page No : 225" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 0. \t\t\t#C\n", + "sv = 1.0001 \t\t\t#cc g**-1\n", + "sv1 = 1.0907 \t\t\t#cc g**-1\n", + "R = 0.0242 \t \t\t#atm**-1 cc**-1 cal\n", + "p = 79.8 \t\t \t#atm\n", + "\n", + "# Calculations\n", + "r = (273.2+T)*(sv-sv1)*R/p\n", + "\n", + "# Results\n", + "print 'rate of change of melting point = %.4f deg atm**-1'%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "rate of change of melting point = -0.0075 deg atm**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.2 Page No : 225" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 95.5 \t\t\t#C\n", + "p = 1. \t\t\t#atm\n", + "v = 0.0126 \t\t\t#cc g**-1\n", + "a = 0.0242 \t\t\t#cal cc**-1 atm**-1\n", + "r = 0.035 \t\t\t#K atm**-1\n", + "\n", + "# Calculations\n", + "dH = (273.2+T)*v*a/r\n", + "\n", + "# Results\n", + "print 'Heat of transition = %.1f cal g**-1'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of transition = 3.2 cal g**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.3 Page No : 226" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 100. \t\t\t#C\n", + "j = 0.0242 \t\t\t#cal cc**-1 atm6-1\n", + "k = 539. \t\t\t#cal g**-1\n", + "p = 1664. \t\t\t#cc g**-1\n", + "\n", + "# Calculations\n", + "r = (273.2+T)*(p-1)*j/k\n", + "\n", + "# Results\n", + "print 'Rise in temperature per unit of pressure = %.1f deg atm**-1'%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Rise in temperature per unit of pressure = 27.9 deg atm**-1\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.4 Page No : 228" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T1 = 100. \t\t\t#C\n", + "T2 = 90. \t\t\t#C\n", + "p = 76. \t\t\t#cm of hg\n", + "H = 542*18.02 \t\t\t#cal mole**-1\n", + "\n", + "# Calculations\n", + "p1 = p/10**((H/4.576)*((T1-T2)/((273.2+T1)*(273.2+T2))))\n", + "\n", + "# Results\n", + "print 'Final vapour pressure of water = %.1f cm'%(p1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Final vapour pressure of water = 52.9 cm\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.5 Page No : 230" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 239.05 \t\t\t#K\n", + "r = 0.0242 \t\t\t#cal cc6-1 atm**-1\n", + "Vv = 269.1 \t\t\t#cc g**-1\n", + "Vl = 0.7 \t\t\t#cc g**-1\n", + "r1 = 3.343 \t\t\t#cm of mercury deg6-1\n", + "p = 76. \t\t\t#cm\n", + "\n", + "# Calculations\n", + "tbyp = r1/p\n", + "dH = T*(Vv-Vl)*tbyp*r\n", + "\n", + "# Results\n", + "print 'heat of vapourisation of liquid chlorine = %.1f cal g**-1'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "heat of vapourisation of liquid chlorine = 68.3 cal g**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.6 Page No : 231" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Ta = 441. \t\t \t#C\n", + "Tb = 882. \t \t\t#C\n", + "Tb1 = 1218. \t\t\t#C\n", + "\n", + "# Calculations\n", + "Ta1 = (273+Tb1)*(Tb+273)/(273+Ta)\n", + "Tb = Ta1-273\n", + "\n", + "# Results\n", + "print 'Normal boiling point of silver = %.f K'%(Ta1)\n", + "print ' Normal boiling point of silver in degrees = %.f degrees'%(Tb)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Normal boiling point of silver = 2412 K\n", + " Normal boiling point of silver in degrees = 2139 degrees\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.7 Page No : 233" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "T = 40. \t\t\t#C\n", + "T1 = 80.1 \t\t\t#C\n", + "\n", + "# Calculations\n", + "H = 2*(273.2+T1)\n", + "p = math.e**(-(H/(4.576*(273.2+T)))+4.59)/3.07\n", + "\n", + "# Results\n", + "print 'vapour pressure = %.1f cm'%(p)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "vapour pressure = 19.6 cm\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.8 Page No : 237" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p = 23.76 \t\t\t#mm\n", + "R = 0.082 \t\t\t#atm-lit deg**-1 mol**-1\n", + "T = 25. \t\t\t#C\n", + "vl = 18 \t\t\t#ml\n", + "p1 = 1. \t\t\t#atm\n", + "\n", + "# Calculations\n", + "dP = 0.001*vl*p*p1/(R*(273+T))\n", + "p2 = p+dP\n", + "\n", + "# Results\n", + "print 'vapour pressure = %.2f mm'%(p2)\n", + "\n", + "# Note : ANSWER GIVEN IN THE TEXTBOOK IS WRONG\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "vapour pressure = 23.78 mm\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 11.9 Page No : 246" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 25. \t\t\t #C\n", + "R = 8.314*10**7 \t\t#ergs /mol K\n", + "st = 72. \t\t \t#dynes cm**-1\n", + "mv = 18. \t \t\t#cc mole**-1\n", + "r = 10.**-5 \t\t\t#cm\n", + "p = 23.76 \t\t\t#cm\n", + "\n", + "# Calculations\n", + "p1 = p*10**(2*st*mv/(r*R*2.303*(273.2+T)))\n", + "\n", + "# Results\n", + "print 'vapour pressure = %.2f mm'%(p1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "vapour pressure = 24.01 mm\n" + ] + } + ], + "prompt_number": 9 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch12.ipynb b/Thermodynamics_for_Chemists/ch12.ipynb new file mode 100755 index 00000000..a5fc4f25 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch12.ipynb @@ -0,0 +1,181 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:dbef979b458f64ee0bfe42675123da99553458bca4c9fa96996153ac4fc86f65" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 12 : Fugacity and Activity" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 12.1 Page No : 252" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p1 = 50 \t\t\t#atm\n", + "p2 = 100 \t\t\t#atm\n", + "p3 = 200 \t\t\t#atm\n", + "p4 = 400 \t\t\t#atm\n", + "p5 = 800 \t\t\t#atm\n", + "p6 = 1000 \t\t\t#atm\n", + "r1 = 0.979\n", + "r2 = 0.967\n", + "r3 = 0.971\n", + "r4 = 1.061\n", + "r5 = 1.489\n", + "r6 = 1.834\n", + "\n", + "# Calculations\n", + "f1 = r1*p1\n", + "f2 = r2*p2\n", + "f3 = r3*p3\n", + "f4 = r4*p4\n", + "f5 = r5*p5\n", + "f6 = r6*p6\n", + "\n", + "# Results\n", + "print 'fugacity of nitrogen gas = %.2f atm'%(f1)\n", + "print ' fugacity of nitrogen gas = %.1f atm'%(f2)\n", + "print ' fugacity of nitrogen gas = %.1f atm'%(f3)\n", + "print ' fugacity of nitrogen gas = %.1f atm'%(f4)\n", + "print ' fugacity of nitrogen gas = %.f atm'%(f5)\n", + "print ' fugacity of nitrogen gas = %.f atm'%(f6)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "fugacity of nitrogen gas = 48.95 atm\n", + " fugacity of nitrogen gas = 96.7 atm\n", + " fugacity of nitrogen gas = 194.2 atm\n", + " fugacity of nitrogen gas = 424.4 atm\n", + " fugacity of nitrogen gas = 1191 atm\n", + " fugacity of nitrogen gas = 1834 atm\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 12.2 Page No : 258" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p1 = 50 \t\t\t#atm\n", + "p2 = 100 \t\t\t#atm\n", + "p3 = 200 \t\t\t#atm\n", + "p4 = 400 \t\t\t#atm\n", + "r1 = 0.98\n", + "r2 = 0.97\n", + "r3 = 0.98\n", + "r4 = 1.07\n", + "\n", + "# Calculations\n", + "f1 = p1*r1\n", + "f2 = p2*r1\n", + "f3 = p3*r3\n", + "f4 = p4*r4\n", + "\n", + "# Results\n", + "print 'fugacity of nitrogen gas = %.f atm'%(f1)\n", + "print ' fugacity of nitrogen gas = %.f atm'%(f2)\n", + "print ' fugacity of nitrogen gas = %.f atm'%(f3)\n", + "print ' fugacity of nitrogen gas = %.f atm'%(f4)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "fugacity of nitrogen gas = 49 atm\n", + " fugacity of nitrogen gas = 98 atm\n", + " fugacity of nitrogen gas = 196 atm\n", + " fugacity of nitrogen gas = 428 atm\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 12.3 Page No : 260" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p = 3.66 \t\t\t#atm\n", + "v = 6.01 \t\t\t#litre mole**-1\n", + "T = 0 \t\t\t#C\n", + "R = 0.082 \t\t\t#lit-atm mole**-1 K**-1\n", + "\n", + "# Calculations\n", + "f = p**2*v/(R*(273+T))\n", + "\n", + "# Results\n", + "print 'fugacity of liquid chlorine = %.2f atm'%(f)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "fugacity of liquid chlorine = 3.60 atm\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch13.ipynb b/Thermodynamics_for_Chemists/ch13.ipynb new file mode 100755 index 00000000..54f5da83 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch13.ipynb @@ -0,0 +1,634 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:acd91289e0ae9fe9e2bc3339cdf9c4eec3f5bc3e39c8f68c1c64dee935af52c5" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 13 : Free Energy and Chemical Reactions" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.1 Page No : 285" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "R = 4.576 \t\t\t#cal deg**-1 mole**-1\n", + "T = 700 \t\t\t#C\n", + "Kp = 0.71\n", + "p1 = 1.5 \t\t\t#atm\n", + "p2 = 5 \t\t\t#atm\n", + "\n", + "# Calculations\n", + "dF = -R*(273+T)*(math.log(Kp)-math.log((p1*p2)/(10*p2)))*0.77\n", + "\n", + "# Results\n", + "print 'Free energy = %.f cal'%(dF-10)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Free energy = -5340 cal\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.1.1 Page no : 287" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "import math\n", + "\n", + "# variables and calculations\n", + "\n", + "# for CO2\n", + "Tc = 304. #K\n", + "Pc = 72.9 # atm\n", + "a = 873. # K\n", + "b = 500. # atm\n", + "\n", + "theta1 = a/Tc\n", + "pi2 = b/Pc\n", + "YCO2 = 1.09\n", + "\n", + "# for H2\n", + "Tc = 33.2 #K\n", + "Pc = 12.8 # atm\n", + "\n", + "theta1 = a/(Tc+8)\n", + "pi2 = b/(Pc+8)\n", + "YH2 = 1.10\n", + "\n", + "# for CO\n", + "Tc = 134. #K\n", + "Pc = 34.6 # atm\n", + "\n", + "theta1 = a/Tc\n", + "pi2 = b/Pc\n", + "YCO = 1.23\n", + "\n", + "# for H20\n", + "Tc = 647. #K\n", + "Pc = 218 # atm\n", + "\n", + "theta1 = a/Tc\n", + "pi2 = b/Pc\n", + "YHO2 = 0.77\n", + "\n", + "Jy = YCO2*YH2/(YCO*YHO2)\n", + "# results\n", + "print \"Jy = %.2f\"%Jy\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Jy = 1.27\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.2 Page No : 293" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "k1 = 4600.\n", + "k2 = -8.64\n", + "k3 = 1.86*10**-3\n", + "k4 = -0.12*10**-6\n", + "k5 = 12.07\n", + "T = 600. \t\t\t#K\n", + "\n", + "# Calculations\n", + "Kf = math.e**(k1*(1/T)+k2*math.log10(T)+k3*T+k4*T**2+k5)\n", + "\n", + "# Results\n", + "print 'Kf = %.3f '%(Kf)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Kf = 0.041 \n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.3 Page No : 294" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "k = -8810 \t\t\t#cal\n", + "k1 = -7.46 \t\t\t#cal K**-1\n", + "k2 = 3.69*10**-3 \t\t\t#cal K**-2\n", + "k3 = -0.47*10**-6 \t\t\t#cak K**-3\n", + "T = 298 \t\t\t#K\n", + "\n", + "# Calculations\n", + "dH = k+k1*T+k2*T**2+k3*T**3\n", + "\n", + "# Results\n", + "print 'Standard heat of reaction = %.f cal'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard heat of reaction = -10718 cal\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.4 Page No : 296" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "k1 = -9130 \t\t\t#cal\n", + "k2 = 7.46 \t\t\t#cal K**-1\n", + "k3 = -3.69*10**-3 \t\t\t#K**-2\n", + "k4 = 0.235*10**-6 \t\t\t#K**-3\n", + "k5 = -12.07\n", + "T = 298 \t\t\t#K\n", + "R = 1.987 \t\t\t#cal deg**-1 mole**-1\n", + "\n", + "# Calculations\n", + "dF = k1+k2*T*math.log(T)+k3*T**2+k4*T**3+k5*R*T\n", + "\n", + "# Results\n", + "print 'Free energy = %.f cal'%(dF)\n", + "\n", + "# rounding off error is there. please check.\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Free energy = -3933 cal\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.5 Page No : 297" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 25 \t\t\t#C\n", + "dF1 = 61.44 \t\t\t#kcal\n", + "dF = 54.65 \t\t\t#kcal\n", + "R = 4.576 \t\t\t#cal deg**-1 mole**-1\n", + "\n", + "# Calculations\n", + "Kf = 10**(-(dF1-dF)*10**3/(R*(273.2+T)))\n", + "\n", + "# Results\n", + "print 'Kf at this temperature = %.2e '%(Kf)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Kf at this temperature = 1.06e-05 \n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.6 Page No : 300" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "R = 4.576 \t\t\t#cal mole**-1 K**-1\n", + "T = 25. \t\t\t#C\n", + "p1 = 122. \t\t\t#mm\n", + "F1 = -5.88 \t\t\t#kcal\n", + "F2 = -33 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "dF = R*(273.2+T)*math.log10(p1/760)\n", + "F = F2+F1+(dF/1000)\n", + "\n", + "# Results\n", + "print 'Standard free energy change = %.f kcal'%(F)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard free energy change = -40 kcal\n" + ] + } + ], + "prompt_number": 10 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.7 Page No : 303" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "r = 3.38*10**-4 \t\t\t#volt deg**-1\n", + "F = 23070. \t\t\t#cal volt**-1 deg**-1\n", + "Sagcl = 23 \t \t\t#E.U.mole**-1\n", + "Shg = 18.5 \t \t\t#E.U.mole**-1\n", + "Sag = 10.2 \t\t \t#E.U.mole**-1\n", + "\n", + "# Calculations\n", + "dS = F*r\n", + "shgcl = 2*-(dS-Sagcl-Shg+Sag)\n", + "\n", + "# Results\n", + "print 'dS = %.1f E.U.cal deg**-1'%(dS)\n", + "print ' molar entropy = %.f E.U.mole**-1'%(shgcl)\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "dS = 7.8 E.U.cal deg**-1\n", + " molar entropy = 47 E.U.mole**-1\n" + ] + } + ], + "prompt_number": 11 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.8 Page No : 304" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "s1 = 44.5 \t\t\t#cal deg**-1 mole**-1\n", + "s2 = 49 \t\t\t#cal deg**-1 mole**-1\n", + "s3 = 51.06 \t\t\t#cal deg**-1 mole**-1\n", + "s4 = 16.75 \t\t\t#cal deg**-1 mole**-1\n", + "h1 = -17.9 \t\t\t#kcal mole**-1\n", + "h2 = 0 \t\t\t#kcal mole**-1\n", + "h3 = -94 \t\t\t#kcal mole**-1\n", + "h4 = -68.3 \t\t\t#kcal mole**-1\n", + "T = 25 \t\t\t#C\n", + "n = 2\n", + "\n", + "# Calculations\n", + "dS = s3+2*s4-s1-n*s2\n", + "dH = h3+n*h4-h1-n*h2\n", + "dF = -0.001*(273.2+T)*dS+dH\n", + "\n", + "# Results\n", + "print 'Entropy Change = %.1f E.U'%(dS)\n", + "print ' Enthalpy Change = %.1f E.U'%(dH)\n", + "print ' Standard free energy = %.1f kcal'%(dF)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Entropy Change = -57.9 E.U\n", + " Enthalpy Change = -212.7 E.U\n", + " Standard free energy = -195.4 kcal\n" + ] + } + ], + "prompt_number": 13 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.9 Page No : 304" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "a = -15.84 \n", + "b = 22.84*10**-3\n", + "c = -80.97*10**-7 \n", + "T = 25. \t\t\t#C\n", + "H1 = -48.1 \t\t\t#kcal\n", + "H2 = -26.4\n", + "dS = 53.09\n", + "T1 = 327. \t\t\t#C\n", + "r1 = 0.58\n", + "r2 = 1.1\n", + "r3 = 1.13\n", + "\n", + "# Calculations\n", + "dH = round((H1-H2)*1000-a*(273.2+T)-0.5*b*(273.2+T)**2-0.33*c*(273.2+T)**3,-1)\n", + "dF = round((H1-H2)*1000+(273.2+T)*dS,-1)\n", + "I = (dF-dH+a*(273.2+T)*math.log(273.2+T)+0.5*b*(273.2+T)**2+0.166*c*(273.2+T)**3)/(273.2+T)\n", + "dF1 = (dH-a*(273+T1)*math.log(273+T1)-0.5*b*(273+T1)**2-0.166*c*(273+T1)**3)+I*(273+T1)\n", + "Kf = 10**(-dF1/(4.576*(273+T1)))\n", + "Jr = r1/(r2**2*r3)\n", + "Kp = Kf/Jr\n", + "\n", + "# Results\n", + "print 'heat of formation = %d cal'%(dH)\n", + "print ' Entropy = %.f cal'%(dF)\n", + "print ' Inertia = %.2f gm cm**2'%(I)\n", + "print ' Entropy = %.f cal'%(dF1)\n", + "print ' Kf = %.1e '%(Kf)\n", + "print ' Kp = %.1e '%(Kp)\n", + "\n", + "# rounding off error is there. please check." + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "heat of formation = -17920 cal\n", + " Entropy = -5870 cal\n", + " Inertia = -46.56 gm cm**2\n", + " Entropy = 11121 cal\n", + " Kf = 8.9e-05 \n", + " Kp = 2.1e-04 \n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.10 Page No : 309" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "F1 = 24.423\t\t\t#cal deg**-1\n", + "F2 = 21.031 \t\t\t#cal deg**-1\n", + "F3 = 37.172 \t\t\t#cal deg**-1\n", + "H1 = 2.024 \t\t\t#kcal\n", + "H2 = 1.035 \t\t\t#kcal\n", + "H3 = 2.365 \t\t\t#kcal\n", + "H = -57.8 \t\t\t#kcal\n", + "T = 25. \t\t\t#C\n", + "\n", + "# Calculations\n", + "dF = F3-F1-F2\n", + "dH = H3-H1-H2\n", + "Hf = H-dH\n", + "F = Hf-((273.2+T)*dF*10**-3) \n", + "\n", + "# Results\n", + "print 'Standard free energy = %.2f kcal'%(F)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard free energy = -54.64 kcal\n" + ] + } + ], + "prompt_number": 15 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.11 Page No : 311" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "T = 1000 \t\t\t #C\n", + "j = 1.5\n", + "Q = 35840 \t\t\t#cal\n", + "I = 743*10**-40 \t\t#g cm**2\n", + "w = 214 \t \t\t#cm**-2\n", + "Kf = 0.184\n", + "\n", + "# Results\n", + "print 'Equilibrium constant = %.3f '%(Kf)\n", + "\n", + "# Note :NO SOLUTION IS GIVEN TO SOLVE Kf INCOMPLETE SOLUTION IN THE TEXTBOOK\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Equilibrium constant = 0.184 \n" + ] + } + ], + "prompt_number": 17 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 13.12 Page No : 313" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "dH = 83 \t\t\t#cal\n", + "R = 1.98 \t\t\t#cal mole K**-1\n", + "T = 25 \t\t\t#C\n", + "M1 = 128 \t\t\t#gms\n", + "M2 = 4 \t\t\t#gms\n", + "M3 = 2 \t\t\t#gms\n", + "M4 = 129 \t\t\t#gms\n", + "I1 = 4.31 \t\t\t#g cm**2\n", + "I2 = 0.920 \t\t\t#g cm**2\n", + "I3 = 0.459 \t\t\t#g cm**2\n", + "I4 = 8.55 \t\t\t# g cm**2\n", + "\n", + "# Calculations\n", + "K = 1+10**((-dH/(2.303*R*(298)))+1.5*math.log(M1**2*M2/(M3*M4**2))+math.log(I1**2*I2/(I3*I4**2)))\n", + "\n", + "# Results\n", + "print 'Equilibrium constant = %.1f '%(K)\n", + "\n", + "# note : rounding off error." + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Equilibrium constant = 1.2 \n" + ] + } + ], + "prompt_number": 13 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch14.ipynb b/Thermodynamics_for_Chemists/ch14.ipynb new file mode 100755 index 00000000..7665275b --- /dev/null +++ b/Thermodynamics_for_Chemists/ch14.ipynb @@ -0,0 +1,244 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:8929370eda354c28fce9b829f100333cf5fedfea917f7bb51452b097667996b2" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 14 : The Properties of Solution" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 14.1 Page No : 322" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "M2 = 92. \t\t\t#gms\n", + "M1 = 78. \t\t\t#gms\n", + "pb = 118.2 \t\t\t#mm\n", + "pt = 36.7 \t\t\t#mm\n", + "\n", + "# Calculations\n", + "n1 = M2/(M1+M2)\n", + "n2 = 1-n1\n", + "p1 = n1*pb\n", + "p2 = n2*pt\n", + "w = p1*M1/(p2*M2)\n", + "\n", + "# Results\n", + "print 'partial pressure of benzene = %.f mm'%(p1)\n", + "print ' partial pressure of toulene = %.1f mm'%(p2)\n", + "print ' weight proportions = %.2f '%(w)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "partial pressure of benzene = 64 mm\n", + " partial pressure of toulene = 16.8 mm\n", + " weight proportions = 3.22 \n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 14.2 Page No : 325" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "vpe = 42 \t\t\t#atm\n", + "p2 = 1. \t\t\t#atm\n", + "\n", + "# Calculations\n", + "N2 = p2/vpe\n", + "\n", + "# Results\n", + "print 'Ideal solubility of ethane = %.3f mole fraction'%(N2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Ideal solubility of ethane = 0.024 mole fraction\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 14.3 Page No : 325" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "p1 = 25.7 \t\t\t#atm\n", + "p2 = 11.84 \t\t\t#atm\n", + "T1 = 173. \t\t\t#K\n", + "T2 = 153. \t\t\t#K\n", + "T3 = 25. \t\t\t#C\n", + "\n", + "# Calculations\n", + "dH = math.log10(p1/p2)*4.579*T1*T2/(T1-T2)\n", + "p = p1*10**((dH/4.576)*(273+T3-T1)/((273+T3)*T1))\n", + "s = 1./p\n", + "\n", + "# Results\n", + "print 'Heat of reaction = %d cal mole**-1'%(dH)\n", + "print ' pressure = %d atm'%(p)\n", + "print ' Solubility of methane = %.5f '%(s)\n", + "\n", + "# note : rounding error is there. please check. " + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of reaction = 2039 cal mole**-1\n", + " pressure = 309 atm\n", + " Solubility of methane = 0.00323 \n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 14.4 Page No : 329" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T1 = 20. \t\t\t#C\n", + "T2 = 80. \t\t\t#C\n", + "H1 = 4540. \t\t\t#cal mole**-1\n", + "\n", + "# Calculations\n", + "n = 10**(H1*(-T2+T1)/(4.576*(273+T1)*(273+T2)))\n", + "\n", + "# Results\n", + "print 'ideal solubility of napthalene = %.3f '%(n)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "ideal solubility of napthalene = 0.266 \n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 14.5 Page No : 342" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.987 \t\t\t#cal mole**-1 K**-1\n", + "T = 278.6 \t\t\t#K\n", + "dH = 30.2 \t\t\t#cal g**-1\n", + "m = 6.054 \t\t\t#gms\n", + "a = 0.1263 \t\t\t#degrees\n", + "\n", + "# Calculations\n", + "l = R*T**2/(1000*dH)\n", + "m1 = a/l\n", + "M2 = m/m1\n", + "\n", + "# Results\n", + "print 'molal depression consmath.tant = %.2f '%(l)\n", + "print ' molality = %.4f '%(m1)\n", + "print ' molecular weight of solute = %.f gms'%(M2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "molal depression consmath.tant = 5.11 \n", + " molality = 0.0247 \n", + " molecular weight of solute = 245 gms\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch15.ipynb b/Thermodynamics_for_Chemists/ch15.ipynb new file mode 100755 index 00000000..80c128d0 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch15.ipynb @@ -0,0 +1,270 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:420bfba231cfede93787915c3c2f3a006f82a824943153e719a02f61a9666037" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 15 : Activities and Activity coefficients" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.1 Page No : 357" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p1 = 17.222 \t\t\t#mm\n", + "p2 = 17.535 \t\t\t#mm\n", + "n = 1. \t\t\t#mole\n", + "m = 1000 \t \t\t#gms\n", + "M = 18.016 \t\t \t#gms\n", + "\n", + "# Calculations\n", + "a = p1/p2\n", + "N1 = (m/M)/(n+(m/M))\n", + "\n", + "# Results\n", + "print 'activity = %.4f '%(a)\n", + "print ' activity coefficient = %.4f '%(N1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "activity = 0.9821 \n", + " activity coefficient = 0.9823 \n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.2 Page No : 361" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "M = 0.1 \t\t\t#molal\n", + "Tf = 0.345 \t\t\t#C\n", + "k = -9.702*10**-3\n", + "k1 = -5.2*10**-6\n", + "\n", + "# Calculations\n", + "a = math.e**(k*Tf+k1*Tf**2)\n", + "\n", + "# Results\n", + "print 'activity = %.4f '%(a)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "activity = 0.9967 \n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.3 Page No : 366" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "R = 1.98*10**-4 \t\t\t#cal mole**-1 deg**-1\n", + "T = 20. \t\t\t#C\n", + "E = -0.11118 \t \t\t#volt\n", + "n2 = 0.00326\n", + "n21 = 0.0986\n", + "\n", + "# Calculations\n", + "r = 10**((-E/(R*(273.16+T)))-math.log10(n21)+math.log10(n2))+n21\n", + "a2 = r*n21\n", + "\n", + "# Results\n", + "print 'a2/N2 = %.3f '%(r)\n", + "print ' a2 = %.4f '%(a2)\n", + "\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "a2/N2 = 2.820 \n", + " a2 = 0.2780 \n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.4 Page No : 367" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n1 = 0.424 \t\t\t#mole fraction\n", + "a2 = 3.268\n", + "n = 8.3\n", + "\n", + "# Calculations\n", + "r = a2/(n*n1)\n", + "\n", + "# Results\n", + "print 'a2/N2 = %.3f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "a2/N2 = 0.929 \n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.5 Page No : 368" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "e = 0.7865 \t \t\t#volt\n", + "emf = 0.8085 \t\t\t#emf\n", + "T = 500. \t\t\t#C\n", + "R = 1.98*10**-4 \t\t\t#cal mol6-1 deg**-1\n", + "n2 = 0.5937\n", + "\n", + "# Calculations\n", + "a2 = 10**((e-emf)/(R*(273+T)))\n", + "r = a2/n2\n", + "\n", + "# Results\n", + "print 'activity coefficient = %.2f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "activity coefficient = 1.21 \n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 15.6 Page No : 371" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "ac = 1.211\n", + "n2 = 0.5937\n", + "\n", + "# Calculations\n", + "b = math.log10(ac)/(1-n2)**2\n", + "\n", + "# Results\n", + "print 'Constant = %.4f '%(b)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Constant = 0.5037 \n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch16.ipynb b/Thermodynamics_for_Chemists/ch16.ipynb new file mode 100755 index 00000000..e782e478 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch16.ipynb @@ -0,0 +1,157 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:7eec017415569aca37aee9a00f020d7a26daf7fdc28863ef2749469da6c56db1" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 16 : Solutions of Electrolytes" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 16.1 Page No : 380" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "v = 1.\n", + "m = 0.5\n", + "\n", + "# Calculations\n", + "m1 = 2*m\n", + "m2 = 1*m\n", + "v1 = 2*v\n", + "v2 = 1*v\n", + "M = (m1**2*m2)**(1/(v1+v2))\n", + "\n", + "# Results\n", + "print 'mean ionic molality = %.1f '%(m2)\n", + "print ' mean ionic molality = %.3f '%(M)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "mean ionic molality = 0.5 \n", + " mean ionic molality = 0.794 \n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 16.2 Page No : 399" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n = 2\n", + "m = 0.01422\n", + "m1 = 0.00869\n", + "m2 = 0.025\n", + "\n", + "# Calculations\n", + "M = m2+m1\n", + "M1 = (M*m1)**(1./n)\n", + "r = m/M1\n", + "\n", + "# Results\n", + "print 'mean ionic molality = %.3f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "mean ionic molality = 0.831 \n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 16.3 Page No : 400" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "mu = 1\n", + "mb = 2\n", + "m = 1 \n", + "m1 = 2\n", + "\n", + "# Calculations\n", + "ym1 = 0.5*(mu*m**2+mu*m**2)\n", + "ym2 = 0.5*(mb*m**2+m*m1**2)\n", + "ym3 = 0.5*(mu*m1**2+mu*m1**2)\n", + "\n", + "# Results\n", + "print 'ionic strength of solution = %.f *m'%(ym1)\n", + "print ' ionic strength of solution = %.f *m'%(ym2)\n", + "print ' ionic strength of solution = %.f *m'%(ym3)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "ionic strength of solution = 1 *m\n", + " ionic strength of solution = 3 *m\n", + " ionic strength of solution = 4 *m\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch17.ipynb b/Thermodynamics_for_Chemists/ch17.ipynb new file mode 100755 index 00000000..202ae565 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch17.ipynb @@ -0,0 +1,104 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:5d3d45dd2b0a1624f92837d3a7578318e5309e0f2974bf7ce73a51b4be600cda" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 17 : The Debye Huckel Theory" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 17.1 Page No : 416" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "s = 1.771*10**-4 \t\t\t#mole litre**-1\n", + "s1 = 0.3252*10**-2 \t\t\t#mole litre**-1\n", + "\n", + "# Calculations\n", + "S = s*10**(0.509*(math.sqrt(s+s1)-math.sqrt(s)))\n", + "\n", + "# Results\n", + "print 'Solubility = %.2e mole litre**-1'%(S)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Solubility = 1.87e-04 mole litre**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 17.2 Page No : 420" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "a = 0.1\n", + "\n", + "# Calculations\n", + "r = 10**(-0.509*math.sqrt(a)/(1+math.sqrt(a)))\n", + "\n", + "# Results\n", + "print 'mean ionic acctivity coefficient = %.3f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "mean ionic acctivity coefficient = 0.755 \n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch18.ipynb b/Thermodynamics_for_Chemists/ch18.ipynb new file mode 100755 index 00000000..3079ae3a --- /dev/null +++ b/Thermodynamics_for_Chemists/ch18.ipynb @@ -0,0 +1,326 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:b75b58d1ed9b57bf27e69f44b206b58457285a660f3ccfef707e8c28d3e7645c" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 18 : Partial Molar Properties" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.1 Page No : 429" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "k1 = 16.4 \t\t\t#ml mole**-1\n", + "k2 = 2.5 \t\t\t#ml mole**-2\n", + "k3 = -1.2 \t\t\t#ml mole**-3\n", + "m = 1 \t\t\t#molal\n", + "\n", + "# Calculations\n", + "Ov = k1+k2*m+k3*m**2\n", + "\n", + "# Results\n", + "print 'Apparent molar volume = %.1f ml mole**-1'%(Ov)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Apparent molar volume = 17.7 ml mole**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.2 Page No : 443" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n = 1 \t\t\t#mole\n", + "n1 = 400 \t\t\t#mole\n", + "T = 25 \t \t\t#C\n", + "H1 = 5410 \t\t\t#cal\n", + "H2 = -5020 \t\t\t#cal\n", + "\n", + "# Calculations\n", + "dH = -(H1+H2)\n", + "\n", + "# Results\n", + "print 'Heat required to remove the water = %.f cal'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat required to remove the water = -390 cal\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.3 Page No : 443" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n = 1 \t\t\t#mole\n", + "n1 = 400 \t\t\t#mole\n", + "T = 25 \t \t\t#C\n", + "H1 = 23540 \t\t\t#cal\n", + "H2 = -5410 \t\t\t#cal\n", + "\n", + "# Calculations\n", + "dH = -(H1+H2)\n", + "\n", + "# Results\n", + "print 'Heat required to remove the water = %.f cal'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat required to remove the water = -18130 cal\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.4 Page No : 446" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n1 = 1 \t\t\t#mole\n", + "n2 = 400 \t\t\t#mole\n", + "H1 = 5638 \t\t\t#cal\n", + "H2 = 23540 \t\t\t#cal\n", + "L = -1.54 \t\t\t#cal/mole\n", + "l1 = -2.16 \t\t\t#cal/mole\n", + "l2 = 5842 \t\t\t#cal/mole\n", + "\n", + "# Calculations\n", + "Q1 = n2*L+H1+H2\n", + "Q2 = n2*l1+2*l2\n", + "Q = Q2-Q1\n", + "\n", + "# Results\n", + "print 'Heat change = %.f cal'%(Q)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat change = -17742 cal\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.5 Page No : 447" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "L2 = 6000. \t \t\t#cal\n", + "v = 3. \n", + "T = 25. \t\t\t#C\n", + "T1 = 0. \t \t\t#C\n", + "\n", + "# Calculations\n", + "R = ((L2/(v*4.576))*(T-T1)/((273+T1)*(273+T)))\n", + "r = 10**((L2/(v*4.576))*(T-T1)/((273+T1)*(273+T)))\n", + "\n", + "# Results\n", + "print 'Ratio = %.3f '%(R)\n", + "print ' Relative change in mean ionic coefficient = %.2f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Ratio = 0.134 \n", + " Relative change in mean ionic coefficient = 1.36 \n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.6 Page No : 450" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "L2 = 4120. \t\t\t#cal\n", + "l = -108. \t\t\t#cal mole**-1\n", + "L21 = -306. \t\t\t#cal mole**-1\n", + "n1 = 55.5 \t\t\t#moles\n", + "n2 = 1. \t\t\t#mole\n", + "\n", + "# Calculations\n", + "Q = L21+L2\n", + "\n", + "# Results\n", + "print 'differential heat of solution = %.f cal mole**-1'%(Q) \n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "differential heat of solution = 3814 cal mole**-1\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 18.7 Page No : 456" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n1 = 2. \t\t\t#moles\n", + "n2 = 100. \t\t\t#moles\n", + "Cp1 = 17.9 \t\t\t#cal deg**-1 mole**-1\n", + "Cp2 = 21.78 \t\t\t#cal deg**-1 mole**-1\n", + "T1 = 30 \t\t\t#C\n", + "T2 = 25 \t\t\t#C\n", + "L1 = 5780. \t\t\t#cal\n", + "L2 = 5410. \t\t\t#cal\n", + "h = 5620. \t\t\t#cal mole**-1\n", + "n3 = 3. \t\t\t#moles\n", + "Cp3 = 16.55 \t\t\t#cal deg**-1 mole**-1\n", + "\n", + "# Calculations \n", + "Cp = n2*Cp1+n1*Cp2\n", + "Q = (T2-T1)*Cp\n", + "Q1 = (n1*L1+L2)\n", + "Q2 = n3*h\n", + "dQ = Q2-Q1\n", + "dH = Q+dQ\n", + "HC = 300*Cp1+n3*Cp3\n", + "t = -dH/HC\n", + "Tf = T2+t\n", + "\n", + "# Results\n", + "print 'Increase in temperature = %.2f deg'%(t) \n", + "print ' Final temperature = %.1f deg'%(Tf) \n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Increase in temperature = 1.71 deg\n", + " Final temperature = 26.7 deg\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch19.ipynb b/Thermodynamics_for_Chemists/ch19.ipynb new file mode 100755 index 00000000..d650548a --- /dev/null +++ b/Thermodynamics_for_Chemists/ch19.ipynb @@ -0,0 +1,297 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:2af58c41d3e9a37ed73ccccf2f28cbf6901991c8026760ee1d6bb639ca43e341" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 19 : EMF and the thermodynamics of ions" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.1 Page No : 466" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "h = 23070. \t\t\t#cal volt**-1 g equiv**-1\n", + "n = 2. \t\t\t#electrons\n", + "e = 1.005 \t\t\t#volts\n", + "T = 25. \t\t\t#C\n", + "e1 = 1.015 \t\t\t#volts\n", + "\n", + "# Calculations\n", + "dH = (-n*h*(e-((273.2+T)*(e-e1)/T)))/1000\n", + "\n", + "# Results\n", + "print 'Heat change in the cell reaction = %.2f kcal'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat change in the cell reaction = -51.87 kcal\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.2 Page No : 482" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "E = -0.344 \t\t\t#volt\n", + "E1 = -0.401 \t\t\t#volt\n", + "R = 0.05914 \t\t\t#volt\n", + "n = 4.\n", + "T = 25. \t \t\t#C\n", + "H = -7300. \t\t \t#cal\n", + "\n", + "# Calculations\n", + "po2 = 10**(-n*(E-E1)/R)\n", + "dH = -0.5*n*H+0.5*n*(273+T)\n", + "\n", + "# Results\n", + "print 'Pressure of Oxygen = %.1e atm'%(po2)\n", + "print ' Change in Enthalpy = %.f cal'%(dH+4)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Pressure of Oxygen = 1.4e-04 atm\n", + " Change in Enthalpy = 15200 cal\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.3 Page No : 489" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "H = -60.15 \t\t\t#kcal\n", + "e = 2.924 \t\t\t#volt\n", + "v = 23070. \t\t\t#cc\n", + "T = 25. \t\t\t#C\n", + "Sm = 15.2 \t\t\t#E.U.mole**-1\n", + "Sg = 31.2 \t\t\t#E.U.mole**-1\n", + "\n", + "# Calculations\n", + "dS = (H*1000-(-e*v))/(273.2+T)\n", + "Sk = (dS+Sm)-0.5*Sg\n", + "\n", + "# Results\n", + "print 'Standard entropy of pottasium ion = %.1f E.U.g ion**-1'%(Sk)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy of pottasium ion = 24.1 E.U.g ion**-1\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.4 Page No : 490" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "dS = -4.61 \t\t\t#E.Ugm ion**-1\n", + "SH = 31.21 \t\t\t#E.U gm ion**-1\n", + "Sm = 9.95 \t\t\t#E.U gm ion**-1\n", + "\n", + "# Calculations\n", + "Szn = dS-SH+Sm\n", + "\n", + "# Results\n", + "print 'Standard entropy of zinc ion = %.1f E.U.g ion**-1'%(Szn)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy of zinc ion = -25.9 E.U.g ion**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.5 Page No : 491" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "n = 2.\n", + "T = 25. \t\t\t#C\n", + "R = 4.576 \n", + "is_ = 9.57*10**-6\n", + "n1 = 4.\n", + "f = 0.509 \t\t\t#volts\n", + "dH = 5970. \t\t\t#cal\n", + "SBa = 2.3 \t\t\t#E.U. gm ion**-1\n", + "Sba = 31.5 \t\t\t#E.U. gm ion6-1\n", + "\n", + "# Calculations\n", + "r = 10**(-n1*f*math.sqrt(n1*is_))\n", + "dF = -n*R*(273.2+T)*math.log10(is_*r)\n", + "dS = (dH-dF)/(273.2+T)\n", + "Sso = Sba-SBa+dS\n", + "\n", + "# Results\n", + "print 'Standard entropy of sulfate ion = %.1f E.U.g ion**-1'%(Sso)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy of sulfate ion = 3.2 E.U.g ion**-1\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 19.6 Page No : 496" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "f1 = 20.66 \t\t\t#kcal\n", + "h1 = 21.6 \t\t\t#kcal\n", + "e1 = 50.34 \t\t\t#kcal\n", + "f2 = 0 \t\t\t#kcal\n", + "f3 = -56.70 \t\t\t#kcal\n", + "f4 = -26.25 \t\t\t#kcal\n", + "h2 = 0 \t \t\t#kcal\n", + "h3 = -68.32 \t\t\t#kcal\n", + "h4 = -49.5 \t\t\t#kcal\n", + "e2 = 49.00 \t\t\t#kcal\n", + "e3 = 16.75 \t\t\t#kcal\n", + "e4 = 35 \t\t\t#kcal\n", + "n1 = 2\n", + "n2 = 1.5\n", + "n3 = 1\n", + "T = 25 \t\t\t#C\n", + "\n", + "# Calculations\n", + "dF = n1*f4-(n1*f1+f3)\n", + "dH = n1*h4-(n1*h1+h3)\n", + "dS = n1*e4-(n1*e1+e3+n2*e2)\n", + "dS1 = (dH-dF)*1000/(273.2+T)\n", + "\n", + "# Results\n", + "print 'free energy = %.2f kcal'%(dF)\n", + "print ' heat of formation = %.1f kcal'%(dH)\n", + "print ' Entropy = %.1f E.U'%(dS)\n", + "print ' Entropy umath.sing heat of formation and free energy = %.1f E.U'%(dS1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "free energy = -37.12 kcal\n", + " heat of formation = -73.9 kcal\n", + " Entropy = -120.9 E.U\n", + " Entropy umath.sing heat of formation and free energy = -123.3 E.U\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch2.ipynb b/Thermodynamics_for_Chemists/ch2.ipynb new file mode 100755 index 00000000..103f6417 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch2.ipynb @@ -0,0 +1,266 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:7896b33251e7015813ab8cc120828b27506a0ecc4b27e995a44efccaece33084" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 2 : Properties of thromodynamic systems" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.1 Page No : 24" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 40 \t\t\t#C\n", + "R = 0.0820 \t\t\t#lit-atm deg**-1 mol**-1\n", + "v = 0.381 \t\t\t#lit\n", + "b = 0.043 \t\t\t#lit\n", + "a = 3.6 \n", + "\n", + "# Calculations\n", + "P = (R*(273+T)/(v-b))-(a/v**2)\n", + "\n", + "# Results\n", + "print 'Pressure = %.1f atm'%(P)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Pressure = 51.1 atm\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.2 Page No : 24" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 0 \t \t\t#C\n", + "R = 0.0820 \t\t\t#lit-atm deg**-1 mol**-1\n", + "p = 400. \t\t\t#atm\n", + "\n", + "# Calculations\n", + "V = R*(273+T)/p\n", + "\n", + "# Results\n", + "print 'Volume of the ideal gas = %.4f lit mol**-1'%(V)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Volume of the ideal gas = 0.0560 lit mol**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.3 Page No : 29" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p = 400. \t\t\t#atm\n", + "T = 273 \t \t\t#K\n", + "R = 0.0820 \t\t\t#lit-atm deg**-1 mol**-1\n", + "k = 1.27\n", + "\n", + "# Calculations\n", + "V = k*R*T/p\n", + "\n", + "# Results\n", + "print 'Volume of the ideal gas = %.3f lit mol**-1'%(V)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Volume of the ideal gas = 0.071 lit mol**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.4 Page No : 29" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "V = 0.381 \t\t\t#lit\n", + "T = 313. \t\t\t#K\n", + "R = 0.0820 \t\t\t#lit-atm deg**-1 mol**-1\n", + "pc = 72.9 \t\t\t#atm\n", + "\n", + "# Calculations\n", + "p = R*T/V\n", + "r = p/pc\n", + "\n", + "# Results\n", + "print 'Pressure of carbon dioxide gas = %.1f atm'%(p)\n", + "print ' ratio = %.3f '%(r)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Pressure of carbon dioxide gas = 67.4 atm\n", + " ratio = 0.924 \n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.5 Page No : 30" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n1 = 0.25 \t\t\t#mole\n", + "n2 = 0.75 \t\t\t#mole\n", + "l = 0.0832 \t\t\t#lit\n", + "T = 50 \t\t\t#C\n", + "p1 = 404 \t\t\t#atm\n", + "p2 = 390 \t\t\t#atm\n", + "\n", + "# Calculations\n", + "P = n1*p1+n2*p2\n", + "\n", + "# Results\n", + "print 'Total Pressure = %.f atm'%(P)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Total Pressure = 394 atm\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 2.6 Page No : 31" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n1 = 0.25 \t\t\t#mole\n", + "nh = 0.75 \t\t\t#mole\n", + "p = 400. \t\t\t#atm\n", + "T = 50. \t\t\t#C\n", + "vn = 0.083 \t\t\t#lit\n", + "vh = 0.081 \t\t\t#lit\n", + "\n", + "# Calculations\n", + "V = n1*vn+vh*nh\n", + "\n", + "# Results\n", + "print 'Volume of given mixture is = %.3f lit'%(V)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Volume of given mixture is = 0.082 lit\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch3.ipynb b/Thermodynamics_for_Chemists/ch3.ipynb new file mode 100755 index 00000000..57313e24 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch3.ipynb @@ -0,0 +1,110 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:13323936ef2e62d44534d1e2a20550e892e59337bee53263e64e756951d19fc1" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 3 : The first law of thermodynamics" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 3.1 Page No : 34" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p = 1.013*10**6 \t\t\t#dynecm**2\n", + "T = 273.16 \t\t\t#K\n", + "V = 773.4 \t\t\t#cc\n", + "n = 0.0687 \t\t\t#cal\n", + "#CALCCULATIONS\n", + "W = p*V/T\n", + "k = W/n\n", + "\n", + "# Results\n", + "print 'Work of expansion = %.2e ergs'%(W)\n", + "print ' 1 cal = %.2e ergs'%(k)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Work of expansion = 2.87e+06 ergs\n", + " 1 cal = 4.17e+07 ergs\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 3.2 Page No : 44" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "R = 8.314*10**7 \t\t\t#J/mol K\n", + "T = 298.2 \t \t\t#K\n", + "p1 = 1. \t\t\t#atm\n", + "p2 = 5.\t \t\t #atm\n", + "\n", + "# Calculations\n", + "W = R*T*math.log(p1/p2)\n", + "\n", + "# Results\n", + "print 'Work of expansion = %.2e ergs mole**-1 '%(W)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Work of expansion = -3.99e+10 ergs mole**-1 \n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch4.ipynb b/Thermodynamics_for_Chemists/ch4.ipynb new file mode 100755 index 00000000..f2a76ad2 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch4.ipynb @@ -0,0 +1,270 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:17fe11bebdee4f72db68fc477ded3a039f0dd502d606be55f2589ab50a034b6b" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 4 : Heat changes and heat capacities" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.1 Page No : 54" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T1 = 400. \t\t\t#K\n", + "T2 = 300. \t \t\t#K\n", + "k1 = 6.095 \t\t \t#cal mole**-1 K**-1\n", + "k2 = 3.253*10**-3 \t\t\t#cal mole**-1 K**-2\n", + "k3 = -1.017*10**-6 \t\t\t#cal mole**-1 K**-3\n", + "\n", + "# Calculations\n", + "dH = k1*(T1-T2)+0.5*k2*(T1**2-T2**2)+(1./3)*k3*(T1**3-T2**3)\n", + "\n", + "# Results\n", + "print 'Heat required to raise the temperature = %d cal-mole**-1'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat required to raise the temperature = 710 cal-mole**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.2 Page No : 56" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p1 = 10. \t\t\t#atm\n", + "p2 = 1. \t\t\t#atm\n", + "T1 = 25. \t\t\t#C\n", + "n = 2/5.\n", + "\n", + "# Calculations\n", + "T2 = (p1/p2)**n*(273+T1)-273\n", + "\n", + "# Results\n", + "print 'Final temperature = %.f C'%(T2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Final temperature = 476 C\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.3 Page No : 57" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "p1 = 20. \t\t\t#atm\n", + "p2 = 200. \t\t\t#atm\n", + "T1 = 25. \t\t\t#C\n", + "n = 2/7.\n", + "\n", + "# Calculations\n", + "T2 = (p1/p2)**n*(273+T1)-273\n", + "\n", + "# Results\n", + "print 'Final temperature = %.f C'%(T2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Final temperature = -119 C\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.4 Page No : 58" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Cv = 5*4.18*10**7 \t\t\t#ergs deg**-1 mole**-1\n", + "T1 = 25. \t\t\t#C\n", + "P2 = 5. \t\t\t#atm\n", + "P1 = 1. \t\t\t#atm\n", + "n = 2./7\n", + "\n", + "# Calculations\n", + "W = Cv*(273+T1)*(1-(P2/P1)**n)\n", + "\n", + "# Results\n", + "print 'Work of expansion = %.2e ergs mole**-1'%(W)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Work of expansion = -3.64e+10 ergs mole**-1\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.5 Page No : 64" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Ti = 25. \t\t\t#C\n", + "p = 200. \t\t\t#atm\n", + "p = 1. \t\t\t#atm\n", + "dT = 31 \t\t\t#C \n", + "\n", + "# Calculations\n", + "Tf = Ti-dT\n", + "\n", + "# Results\n", + "print 'Final temperature = %.f degrees'%(Tf)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Final temperature = -6 degrees\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 4.6 Page No : 65" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "k1 = 6.45 \t\t\t#cal deg**-1 mol**-1\n", + "k2 = 1.41*10**-3 \t\t\t#cal deg**-2 mol**-1\n", + "k3 = -0.81*10**-7 \t\t\t#cal deg**-3 mol**-1\n", + "T = 300 \t\t \t#K\n", + "k4 = -0.21*1.36 \t\t\t#cal deg**-3 mol**-1 atm**-1\n", + "k5 = 6.87*1.5\t\t\t #cal deg**-3 mol**-1 atm**-2\n", + "p = 10**-3\n", + "\n", + "# Calculations\n", + "Cp = k1+k2*T+k3*T**2\n", + "dCp = k2+2*k3*T\n", + "dCp1 = k4*p+k5*p\n", + "\n", + "# Results\n", + "print 'Cp = %.2f cal deg**-1 mole**-1'%(Cp)\n", + "print ' Specific heat at temperature = %.2e cal deg**-2 mole**-1'%(dCp)\n", + "print ' Specific heat at pressure = %.2e cal deg**-2 mole**-1 atm**-1'%(dCp1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cp = 6.87 cal deg**-1 mole**-1\n", + " Specific heat at temperature = 1.36e-03 cal deg**-2 mole**-1\n", + " Specific heat at pressure = 1.00e-02 cal deg**-2 mole**-1 atm**-1\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch5.ipynb b/Thermodynamics_for_Chemists/ch5.ipynb new file mode 100755 index 00000000..f1f6c8f4 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch5.ipynb @@ -0,0 +1,496 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:f3e8b42215365cf1bfa3ac9f200471823539f88439d8a1274c785506152bd8d0" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 5 : Thermochemistry" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.1 Page No : 71" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Q1 = -1227 \t \t\t#kcal\n", + "R = 2*10**-3 \t\t\t#kcal\n", + "T = 25 \t\t\t#C\n", + "dn = -2\n", + "\n", + "# Calculations\n", + "Qp = Q1+R*(273+T)*dn\n", + "\n", + "# Results\n", + "print 'Heat of reaction = %.1f kcal'%(Qp)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of reaction = -1228.2 kcal\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.2 Page No : 72" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "H1 = -337.3 \t\t\t#kcal\n", + "H2 = -68.3 \t\t\t#kcal\n", + "H3 = -372.8 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "Ht = H1+H2-H3\n", + "\n", + "# Results\n", + "print 'Heat change of reaction = %.1f kcal'%(Ht)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat change of reaction = -32.8 kcal\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.3 Page No : 74" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "dH = -1228.2 \t\t\t#kcal\n", + "n1 = 10\n", + "n2 = 4\n", + "dH1 = -94.05 \t\t\t#kcal\n", + "dH2 = -68.32 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "x = n1*dH1+n2*dH2-dH\n", + "\n", + "# Results\n", + "print 'Heat of formation = %.1f kcal'%(x)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of formation = 14.4 kcal\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.4 Page No : 75" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "H1 = -29.6 \t\t\t#kcal\n", + "H2 = -530.6 \t\t\t#kcal\n", + "H3 = -94 \t\t\t#kcal\n", + "H4 = -68.3 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "dH1 = -(H1+H2-3*H3-4*H4)\n", + "dH2 = -dH1+3*H3+3*H4\n", + "\n", + "# Results\n", + "print 'Heat of combustion = %.f kcal'%(dH1)\n", + "print ' Standard heat of formation = %.1f kcal'%(dH2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of combustion = 5 kcal\n", + " Standard heat of formation = -491.9 kcal\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.5 Page No : 79" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T1 = 25. \t\t\t#C\n", + "T2 = 100. \t\t\t#C\n", + "dH1 = -57.8 \t\t\t#kcal\n", + "Cp1 = 8.03 \t\t\t#cal deg**-1\n", + "Cp2 = 6.92 \t\t\t#cal deg**-1\n", + "Cp3 = 7.04 \t\t\t#cal deg**-1\n", + "\n", + "# Results\n", + "Cp = Cp1-(Cp2+0.5*Cp3)\n", + "dH2 = Cp*10**-3*(T2-T1)+dH1\n", + "\n", + "# Results\n", + "print 'Standard heat of formation = %.2f kcal mole**-1'%(dH2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard heat of formation = -57.98 kcal mole**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.6 Page No : 80" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "a = -2.776\n", + "b = 0.947*10**-3\n", + "c = 0.295*10**-6\n", + "T1 = 373 \t\t\t#K\n", + "T2 = 298 \t \t\t#K\n", + "dH1 = -57.8 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "dH = a*(T1-T2)+0.5*b*(T1**2-T2**2)+0.33*c*(T1**3-T2**3)\n", + "dH2 = dH1+(dH/1000)\n", + "\n", + "# Results\n", + "print 'Heat obtained = %.f cal '%(dH)\n", + "print ' Smath.tanadard heat of formation = %.2f kcal mole**-1'%(dH2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat obtained = -182 cal \n", + " Smath.tanadard heat of formation = -57.98 kcal mole**-1\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.7 Page No : 81" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "a1 = 6.189 \n", + "a2 = 3.225\n", + "a3 = 10.421\n", + "b1 = 7.787*10**-3\n", + "b2 = 0.707*10**-3\n", + "b3 = -0.3*10**-3\n", + "c1 = -0.728*10**-6\n", + "c2 = -0.04014*10**-6\n", + "c3 = 0.7212*10**-6\n", + "dH = -9.13 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "a = -(a2+a3-a1)*10**-3\n", + "b = -0.5*(b2+b3-b1)*10**-3\n", + "c = -0.33*(c2+c3-c1)*10**-3\n", + "\n", + "# Results\n", + "print 'a = %.2e kcal mole**-1'%(a)\n", + "print ' b = %.2e kcal mole**-1'%(b)\n", + "print ' c = %.2e kcal mole**-1'%(c)\n", + "print ' dH = %.2f kcal mole**-1'%(dH)\n", + "\n", + "# note : rounding off error.\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "a = -7.46e-03 kcal mole**-1\n", + " b = 3.69e-06 kcal mole**-1\n", + " c = -4.65e-10 kcal mole**-1\n", + " dH = -9.13 kcal mole**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.8 Page No : 81" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "dH = 31.39 \t\t\t#kcal\n", + "k1 = 3.397*10**-3 \t\t\t#kcal K**-1\n", + "k2 = -1.68*10**-6 \t\t\t#kcal K**-2\n", + "k3 = -0.022*10**-9 \t\t\t#kcal K**-3\n", + "k4 = 1.17*10**2 \t\t\t#kcal K\n", + "T = 25 \t\t\t#C\n", + "#CALCULTIONS\n", + "H = dH-(k1*(273+T)+k2*(273+T)**2+k3*(273+T)**3+k4*(273+T)**-1)\n", + "\n", + "# Results\n", + "print 'Change in enthalpy = %.2f kcal'%(H)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Change in enthalpy = 30.13 kcal\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.9 Page No : 85" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "from numpy import *\n", + "# Variables\n", + "dH = 214470 \t\t\t#kcal mole**-1\n", + "a = 72.43 \t \t\t#calmole**-1deg**-1\n", + "b = 13.08*10**-3 \t\t\t#kcalmole**-1\n", + "c = -1.172*10**-6 \t\t\t#kcalmole**-1\n", + "\n", + "# Calculations\n", + "vec =roots([c,b,a,-dH])\n", + "T = vec[2]\n", + "\n", + "# Results\n", + "print 'Temperature = %.f C'%(T+15)\n", + "\n", + "# note : rounding off error because of roots()" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Temperature = 2253 C\n" + ] + } + ], + "prompt_number": 10 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.10 Page No : 88" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "c1 = 9.3 \t\t\t#cal deg**-1\n", + "c2 = 6.3 \t\t\t#cal deg**-1\n", + "n = 2.\n", + "dH = -57500. \t\t\t#cal\n", + "V = 3. \t\t \t#cc\n", + "v1 = 3.5 \t\t\t#cc\n", + "T1 = 25. \t\t\t#C\n", + "p1 = 1. \t\t\t #atm\n", + "\n", + "# Calculations\n", + "T2 = (-dH/(c1+n*c2))+298\n", + "p2 = p1*V*T2/(v1*(273+T1))\n", + "\n", + "# Results\n", + "print 'Temperature final = %.f K'%(round(T2,-1))\n", + "print ' pressure final = %.1f atm'%(p2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Temperature final = 2920 K\n", + " pressure final = 8.4 atm\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.11 Page No : 92" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Hc = 234.4 \t\t\t#kcal\n", + "Hdc = 300 \t\t\t#kcal\n", + "Hch = 436.5 \t\t\t#kcal\n", + "Hco = 152 \t\t\t#kcal\n", + "Hsco = 70 \t\t\t#kcal\n", + "Hoh = 110.2 \t\t\t#kcal\n", + "Hoo = 885 \t\t\t#kcal\n", + "Hb = 38 \t\t\t#kcal\n", + "Hc = 28 \t\t\t#kcal\n", + "Ha = 206 \t\t\t#kcal\n", + "H1co = 2128 \t\t\t#kcal\n", + "H1oh = 661 \t\t\t#kcal\n", + "H1c = 231 \t\t\t#kcal\n", + "\n", + "# Calculations\n", + "dH = Hc+Hdc+Hch+Hco+Hsco+Hoh+Hoo+Ha+Hb+Hc-H1co-H1oh-H1c\n", + "\n", + "# Results\n", + "print 'Heat of combustion = %.f kcal'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Heat of combustion = -766 kcal\n" + ] + } + ], + "prompt_number": 19 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch6.ipynb b/Thermodynamics_for_Chemists/ch6.ipynb new file mode 100755 index 00000000..629d76bb --- /dev/null +++ b/Thermodynamics_for_Chemists/ch6.ipynb @@ -0,0 +1,398 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:643ece1a205940084a51dab36a68239a7d1fd6078e2786fc61d4036267e5fc54" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 6 : Calculation of energy and heat capcity" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.1 Page No : 105" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "m = 5.313*10**-23 \t\t\t#g\n", + "k = 1.38*10**-16 \n", + "T = 298 \t\t\t#K\n", + "R = 82.06 \t\t\t#ml-atm /mol K\n", + "h = 6.624*10**-27 \t\t\t#J /mol\n", + "\n", + "# Calculations\n", + "Qt = (2*math.pi*m*k*T)**1.5*R*T/h**3\n", + "\n", + "# Results\n", + "print 'Qt = %.2e '%(Qt)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Qt = 4.28e+30 \n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.2 Page No : 107" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "Qe = 4.029\n", + "Qe1 = -37.02\n", + "Qe2 = 4.695*10**4\n", + "T = 300 \t\t\t#K\n", + "R = 1.98 \t\t\t#cal /mol K\n", + "Qe3 = 4.158\n", + "Qe4 = -200.8\n", + "Qe5 = 2.546*10**5\n", + "T1 = 500 \t\t\t#K\n", + "\n", + "# Calculations\n", + "Ce = R*((Qe2/Qe)-(Qe1/Qe)**2)/T**2\n", + "Ce1 = R*((Qe5/Qe3)-(Qe4/Qe3)**2)/T1**2\n", + "\n", + "# Results\n", + "print 'electronic contribution = %.3f cal deg**-1.g.atom**-1'%(Ce)\n", + "print ' electronic contribution = %.3f cal deg**-1.g.atom**-1'%(Ce1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "electronic contribution = 0.255 cal deg**-1.g.atom**-1\n", + " electronic contribution = 0.466 cal deg**-1.g.atom**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.3 Page No : 111" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "I = 0.459*10**-40 \t\t\t#g cm**2\n", + "k = 1.38*10**-16\n", + "T = 300 \t\t\t#K\n", + "h = 6.624*10**-27 \t\t\t#J/mol\n", + "I1 = 245*10**-40 \t\t\t# g cm**2\n", + "\n", + "# Calculations\n", + "Qr = I*k*T*8*math.pi**2*0.5/h**2\n", + "Qr1 = I1*k*T*8*math.pi**2/h**2\n", + "\n", + "# Results\n", + "print 'Rotational Partition = %.2f '%(Qr)\n", + "print ' Rotational Partition = %.f '%(Qr1)\n", + "\n", + "# note : rounding off error. please check." + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Rotational Partition = 1.71 \n", + " Rotational Partition = 1825 \n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.4 Page No : 114" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "h = 1.439\n", + "T = 300. \t\t\t#K\n", + "w = 4405. \t\t\t#cm**-1\n", + "w1 = 565. \t\t\t#cm**-1\n", + "\n", + "# Calculations\n", + "Qv1 = (1-math.e**(-h*w/T))**-1\n", + "Qv2 = (1-math.e**(-h*w1/T))**-1\n", + "\n", + "# Results\n", + "print 'Vibrational Partition = %.3f '%(Qv1)\n", + "print ' Vibrational Partition = %.3f '%(Qv2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Vibrational Partition = 1.000 \n", + " Vibrational Partition = 1.071 \n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + "Example 6.5 Page No : 116" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "h = 1.439\n", + "T = 300 \t\t\t#K\n", + "w = 565 \t\t\t#cm**-1\n", + "R = 1.98 \t\t\t#cal /mol K\n", + "n = 0.56\n", + "\n", + "# Calculations\n", + "Qr = h*w/T\n", + "Cv = n*R\n", + "\n", + "# Results\n", + "print 'Vibrational Partition = %.2f '%(Qr)\n", + "print ' Cv = %.2f cal deg**-1 mole**-1'%(Cv)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Vibrational Partition = 2.71 \n", + " Cv = 1.11 cal deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.6 Page No : 118" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.986 \t\t\t#cal deg**-1 mole**-1\n", + "cv1 = 0.392 \t\t\t#cal deg**-1 mole**-1\n", + "cv2 = 0.004 \t\t\t#cal deg**-1 mole**-1\n", + "cv3 = 0.003 \t\t\t#cal deg**-1 mole**-1\n", + "cv4 = 1.265 \t\t\t#cal deg**-1 mole**-1\n", + "cv5 = 0.247 \t\t\t#cal deg**-1 mole**-1\n", + "cv6 = 0.225 \t\t\t#cal deg**-1 mole**-1\n", + "\n", + "# Calculations\n", + "Cv = 3*R+cv1+cv2+cv3\n", + "Cv1 = 3*R+cv4+cv5+cv6\n", + "\n", + "# Results\n", + "print 'Total heat capacity = %.2f cal deg**-1 mole**-1'%(Cv)\n", + "print ' Total heat capacity = %.2f cal deg**-1 mole**-1'%(Cv1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Total heat capacity = 6.36 cal deg**-1 mole**-1\n", + " Total heat capacity = 7.69 cal deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.7 Page No : 123" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.98 \t\t\t#cal/mol K\n", + "\n", + "# Calculations\n", + "Cv = 2.856*R\n", + "\n", + "# Results\n", + "print 'Cv = %.2f cal deg**-1 g.atom**-1'%(Cv)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cv = 5.65 cal deg**-1 g.atom**-1\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.8 Page No : 124" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.98 \t\t\t#cal/mol K\n", + "n = 3\n", + "\n", + "# Calculations\n", + "Cv = n*R*0.8673\n", + "\n", + "# Results\n", + "print 'Cv = %.2f cal deg**-1 g.atom**-1'%(Cv)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cv = 5.15 cal deg**-1 g.atom**-1\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 6.9 Page No : 125" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.98 \t\t\t#cal/mol K\n", + "n = 3\n", + "\n", + "# Calculations\n", + "Cv = n*R*0.904\n", + "\n", + "# Results\n", + "print 'Cv = %.2f cal deg**-1.g.atom**-1'%(Cv)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cv = 5.37 cal deg**-1.g.atom**-1\n" + ] + } + ], + "prompt_number": 9 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch7.ipynb b/Thermodynamics_for_Chemists/ch7.ipynb new file mode 100755 index 00000000..42ab7899 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch7.ipynb @@ -0,0 +1,150 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:972acff7d45b02187de1954b7975da8c6079f6322a8b7b9b83d194bbf84a5e53" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 7 : The second law of thermodynamics" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 7.1 Page No : 137" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T1 = 308 \t\t\t#K\n", + "T2 = 373. \t\t\t#K\n", + "T3 = 538. \t\t\t#K\n", + "\n", + "# Calculations\n", + "e1 = (T2-T1)/T2\n", + "e2 = (T3-T1)/T3\n", + "\n", + "# Results\n", + "print 'Efficiency = %.3f '%(e1)\n", + "print ' Efficiency = %.3f '%(e2)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Efficiency = 0.174 \n", + " Efficiency = 0.428 \n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 7.2 Page No : 139" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 25 \t\t\t#C\n", + "T1 = 0. \t\t\t#C\n", + "h = 79.8 \t\t\t#cal g**-1\n", + "j = 4.18*10**7 \t\t\t#ergs\n", + "\n", + "# Calculations\n", + "Wc = (T-T1)*h/(273+T1)\n", + "W = (T-T1)*h*j/(273+T1)\n", + "\n", + "# Results\n", + "print 'Work required = %.1f cal'%(Wc)\n", + "print ' Work required = %.2e ergs'%(W)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Work required = 7.3 cal\n", + " Work required = 3.05e+08 ergs\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 7.3 Page No : 151" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "R = 1.98 \t\t\t#cal\t\t\t#mol K\n", + "x = 0.75\n", + "n = 9\n", + "\n", + "# Calculations\n", + "dS = -R*(n*(x/n)*math.log(x/n)+(1-x)*math.log(1-x))\n", + "\n", + "# Results\n", + "print 'Entropy = %.2f cal deg**-1 mole**-1'%(dS)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Entropy = 4.38 cal deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch8.ipynb b/Thermodynamics_for_Chemists/ch8.ipynb new file mode 100755 index 00000000..7af17926 --- /dev/null +++ b/Thermodynamics_for_Chemists/ch8.ipynb @@ -0,0 +1,395 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:8d5a686096634f879e0f7f78f59d72e8ae896018a8aa4a7b249e0ce878bb62b8" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 8 : Entropy relationships and applications" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.1 Page No : 155" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "k1 = 6.2\n", + "k2 = 1.33*10**-3\n", + "k3 = 6.78*10**4\n", + "T1 = 800. \t\t\t#C\n", + "T2 = 300. \t\t\t#C\n", + "\n", + "# Calculations\n", + "dS = k1*math.log(T1/T2)+k2*(T1-T2)-0.5*k3*(T1**-2-T2**-2)\n", + "\n", + "# Results\n", + "print 'Entropy increase = %.2f cal deg**-1 g atom**-1'%(dS)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Entropy increase = 7.07 cal deg**-1 g atom**-1\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.2 Page No : 159" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 77.32 \t\t\t#K\n", + "p = 1 \t\t\t#atm\n", + "Tc = 126 \t\t\t#K\n", + "Pc = 33.5 \t\t\t#atm\n", + "Mo = 32 \t\t\t#gms\n", + "mo = 27 \t\t\t#gms\n", + "R = 1.98 \t\t\t#cl/mol K\n", + "\n", + "# Calculations\n", + "dS = (mo)*R*Tc**3/(Mo*Pc*T**3)\n", + "\n", + "# Results\n", + "print 'Entropy increase = %.3f cal deg**-1'%(dS)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Entropy increase = 0.216 cal deg**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.3 Page No : 160" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "R = 1.987 \t\t\t#cal deg**-1 mole**-1\n", + "T = 25 \t\t\t#C\n", + "Pc = 49.7 \t\t\t#atm\n", + "m = 128 \t\t\t#gms\n", + "pc = 49.7 \t\t\t#atm\n", + "Tc = 154.3 \t\t\t#K\n", + "m1 = 9 \t \t\t#gms\n", + "m2 = 18\n", + "\n", + "# Calculations\n", + "dH = (m1*R*Tc/(m*pc))*(1-m2*(Tc/(273.15+T))**2)*-1\n", + "\n", + "# Results\n", + "print 'Enthalpy = %.2f cal mole**-1'%(dH)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Enthalpy = 1.66 cal mole**-1\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.4 Page No : 165" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "a = 1.39 \t\t\t#lit**2\n", + "p = 200. \t\t\t#atm\n", + "R = 0.082 \t\t\t#lit-atm /mol K\n", + "T = 298. \t\t\t#K\n", + "\n", + "# Calculations\n", + "dC = (1+(2*a*p/(R*T)**2))\n", + "\n", + "# Results\n", + "print 'Cp-Cv = %.2f *R lit-atm mole**-1 K**-1'%(dC)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cp-Cv = 1.93 *R lit-atm mole**-1 K**-1\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.5 Page No : 165" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "P = 200. \t\t\t#atm\n", + "Tc = 126. \t\t\t#k\n", + "T = 25. \t\t\t#C\n", + "Pc = 33.5 \t\t\t#atm\n", + "M = 27. \t\t\t#gms\n", + "m = 16. \t\t\t#gms\n", + "\n", + "# Calculations\n", + "dC = (1+(M*Tc**3*P/(m*Pc*(273.2+T)**3)))\n", + "\n", + "# Results\n", + "print 'Cp-Cv = %.2f *R cal mole**-1 K**-1'%(dC)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cp-Cv = 1.76 *R cal mole**-1 K**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.6 Page No : 167" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "T = 25. \t\t\t#C\n", + "b = 0.785*10**-6 \t\t\t#atm**-1\n", + "a = 49.2*10**-6 \t\t\t#deg**-1\n", + "d = 8.93 \t\t \t#gm/cc\n", + "aw = 63.57 \t\t\t #gms\n", + "\n", + "# Calculations\n", + "dC = a**2*(273.2+T)*aw*0.0242/(b*d)\n", + "\n", + "# Results\n", + "print 'Cp-Cv = %.3f cal deg**-1g atom**-1'%(dC)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cp-Cv = 0.158 cal deg**-1g atom**-1\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.7 Page No : 169" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "p = 100 \t\t\t#atm\n", + "T = 25. \t\t\t#C\n", + "a = 1.38\n", + "b = 3.92*10**-2 \t\t\t#lit atm\n", + "R = 0.082 \t\t\t#lit-atm mole**-1 K**-1\n", + "Tc = 126 \t\t\t#K\n", + "Pc = 33.5 \t\t\t#atm\n", + "M = 81. \t\t\t#gms\n", + "m = 32. \t\t\t#gms\n", + "\n", + "# Calculations\n", + "dC = a*2*p/(R*(273+T)**2)\n", + "dC1 = M*R*Tc**3*p/(m*Pc*(273+T)**3)\n", + "\n", + "# Results\n", + "print 'Cp-Cp* = %.3f lit atm deg**-1 mole**-1'%(dC)\n", + "print ' Cp-Cp* = %.3f lit atm deg**-1 mole**-1'%(dC1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Cp-Cp* = 0.038 lit atm deg**-1 mole**-1\n", + " Cp-Cp* = 0.047 lit atm deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.8 Page No : 172" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Cp = 8.21*0.0413 \t\t\t#lit-atm deg**-1 mole**-1\n", + "V = 8.64*28*10**-3 \t\t\t#lit\n", + "r = 1.199\n", + "\n", + "# Calculations\n", + "u = V*(r-1)/Cp\n", + "\n", + "# Results\n", + "print 'Joule-thomson coefficient = %.3f deg atm**-1'%(u)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Joule-thomson coefficient = 0.142 deg atm**-1\n" + ] + } + ], + "prompt_number": 8 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 8.9 Page No : 173" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Cp = 8.21*0.0413 \t\t\t#lit-atm\n", + "R = 0.0821 \t\t\t#lit-atm deg**-1 mole**-1\n", + "p = 100 \t\t\t#atm\n", + "T = 20. \t\t\t#C\n", + "a = 1.39 \n", + "b = 3.92*10**-2 \t\t\t#lit-atm**2 mole\n", + "\n", + "# Calculations\n", + "u = (1/Cp)*((2*a/(R*(273+T)))-b-(3*a*b*p/(R**2*(273+T)**2)))\n", + "\n", + "# Results\n", + "print 'Joule-thomson coefficient = %.3f deg atm**-1'%(u)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Joule-thomson coefficient = 0.142 deg atm**-1\n" + ] + } + ], + "prompt_number": 9 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
\ No newline at end of file diff --git a/Thermodynamics_for_Chemists/ch9.ipynb b/Thermodynamics_for_Chemists/ch9.ipynb new file mode 100755 index 00000000..1bfea63b --- /dev/null +++ b/Thermodynamics_for_Chemists/ch9.ipynb @@ -0,0 +1,188 @@ +{ + "metadata": { + "name": "", + "signature": "sha256:504d1c6e130519bd52ac789c89a6f8e08c6f8ebcef05a86769153cb6fef7a117" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 9 : Entropy determination and Significance" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 9.1 Page No : 191" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "w = 35.46 \t\t\t#gms\n", + "T = 298.2 \t\t\t#K\n", + "Qc = 4.03 \n", + "\n", + "# Calculations\n", + "S = 4.576*(1.5*math.log10(w)+2.5*math.log10(T)+math.log10(Qc)-0.5055)\n", + "\n", + "# Results\n", + "print 'Standard entropy = %.1f cal deg**-1 g atom**-1'%(S)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy = 39.4 cal deg**-1 g atom**-1\n" + ] + } + ], + "prompt_number": 2 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 9.2 Page No : 195" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "M = 28. \t \t \t#gms\n", + "T = 25. \t \t\t#C\n", + "I = 13.9*10**-40 \t\t\t# gcm**2\n", + "s = 2\n", + "\n", + "# Calculations\n", + "S = 4.576*(1.5*math.log10(M)+2.5*math.log10(273.2+T)-0.5055)\n", + "S1 = 4.576*(math.log10(I)+math.log10(273.2+T)-math.log10(s)+38.82)\n", + "\n", + "# Results\n", + "print 'Standard entropy = %.1f E.U.mole**-1'%(S)\n", + "print ' Standard entropy = %.1f E.U.mole**-1'%(S1)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy = 35.9 E.U.mole**-1\n", + " Standard entropy = 9.8 E.U.mole**-1\n" + ] + } + ], + "prompt_number": 3 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 9.3 Page No : 196" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "import math \n", + "T = 25. \t\t\t#C\n", + "I = 4.33*10**-40 \t\t\t# gcm**2\n", + "I1 = 2.78*10**-40 \t\t\t#g cm**2\n", + "s = 3\n", + "\n", + "# Calculations\n", + "S = 4.576*(0.5*math.log10(I1**2*I)+1.5*math.log10(273.2+T)-math.log10(s)+58.51)\n", + "\n", + "# Results\n", + "print 'Standard entropy = %.1f cal deg**-1 mole**-1'%(S)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy = 11.5 cal deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 9.4 Page No : 198" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "Sco = 47.3 \t\t \t#cal deg**-1 \n", + "Sh2 = 31.21 \t\t\t#cal deg**-1\n", + "Sc = 1.36 \t\t \t#cal deg**-1\n", + "Sho = 16.75 \t\t\t#cal deg**-1\n", + "\n", + "# Calculations\n", + "S = Sco+Sh2-Sc-Sho\n", + "\n", + "# Results\n", + "print 'Standard entropy = %.2f cal deg**-1 mole**-1'%(S)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Standard entropy = 60.40 cal deg**-1 mole**-1\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
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