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diff --git a/Physical_Chemsitry/Chapter13.ipynb b/Physical_Chemsitry/Chapter13.ipynb new file mode 100755 index 00000000..79973f5f --- /dev/null +++ b/Physical_Chemsitry/Chapter13.ipynb @@ -0,0 +1,401 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:b3b8e3a1df1ec221a5596f2fd615d0e7df4ba35a4012aeb734d5820e6983cd64"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 13 - Thermodynamic changes accompanying chemical reaction"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 320"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the dHp value\n",
+ "#Initialization of variables\n",
+ "n1=10 #mol\n",
+ "n2=12 #mol\n",
+ "#calculations\n",
+ "dn=n1-n2\n",
+ "#results\n",
+ "print '%s %d %s' %(\"dHp = dEv-\",dn,\"*RT\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "dHp = dEv- -2 *RT\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 322"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Enthalpy\n",
+ "#Initialization of variables\n",
+ "Ht1=-22063 #cal\n",
+ "T=298.15 #K\n",
+ "#calculations\n",
+ "H=Ht1 +0.5293*T + 0.3398*10**-3 *T**2 - 2.039*10**-7 *T**3\n",
+ "#results\n",
+ "print '%s %d %s' %(\"Enthalpy =\",H,\"cal\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Enthalpy = -21880 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 326"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Entropy\n",
+ "#Initialization of variables\n",
+ "Cp=0.797 #cal/deg/mol\n",
+ "#calculations\n",
+ "S=Cp/3.\n",
+ "#results\n",
+ "print '%s %.3f %s' %(\"Entropy =\",S,\" eu/mol\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Entropy = 0.266 eu/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 328"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Change in entropy\n",
+ "#Initialization of variables\n",
+ "T1=77.32 #K\n",
+ "P=1 #atm\n",
+ "T2=126 #K\n",
+ "Pc=33.5 #atm\n",
+ "#calculations\n",
+ "dS=27/32. *1.987*P/Pc *(T2/T1)**3\n",
+ "#results\n",
+ "print '%s %.2f %s' %(\"Change in entropy =\",dS,\"eu/mol\")"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Change in entropy = 0.22 eu/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 330"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Change in entropy, enthalpy and free energy\n",
+ "#Initialization of variables\n",
+ "S1=57.47\n",
+ "S2=50.34\n",
+ "S3=49\n",
+ "H1=8.09\n",
+ "H2=21.06\n",
+ "H3=0\n",
+ "F1=12.39\n",
+ "F2=20.72\n",
+ "F3=0\n",
+ "#calculations\n",
+ "dS=S1-S2-0.5*S3\n",
+ "dH=H1-H2-0.5*H3\n",
+ "dF=F1-F2-0.5*F3\n",
+ "#results\n",
+ "print '%s %.2f %s' %(\"Change in entropy =\",dS,\" eu\")\n",
+ "print '%s %.2f %s' %(\"\\n Change in enthalpy =\",dH,\" kcal\")\n",
+ "print '%s %.2f %s' %(\"\\n Change in free energy =\",dF,\"kcal\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Change in entropy = -17.37 eu\n",
+ "\n",
+ " Change in enthalpy = -12.97 kcal\n",
+ "\n",
+ " Change in free energy = -8.33 kcal\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 334"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the change in free energy\n",
+ "#Initialization of variables\n",
+ "import math\n",
+ "P1=0.01\n",
+ "P2=0.1\n",
+ "P3=0.01\n",
+ "dF0=-54640 #cal\n",
+ "T=298.15 #K\n",
+ "R=1.987 #cal/deg\n",
+ "#calculations\n",
+ "Qp=P1/(P2*P3**0.5)\n",
+ "dF=dF0+R*T*math.log(Qp)\n",
+ "#results\n",
+ "print '%s %d %s' %(\"change in free energy =\",dF,\"cal\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "change in free energy = -54640 cal\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 335"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Equilibrium constant\n",
+ "#Initialization of variables\n",
+ "print \"From table 13.4 \"\n",
+ "logKfwater=40.04724\n",
+ "logKfH2=0\n",
+ "logKfO2=0\n",
+ "#calculations\n",
+ "logK=logKfwater-logKfH2-0.5*logKfO2\n",
+ "K=10**logK\n",
+ "#results\n",
+ "print '%s %.4e' %(\"Equilibrium constant = \",K)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "From table 13.4 \n",
+ "Equilibrium constant = 1.1149e+40\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 339"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the value of Kc\n",
+ "#Initialization of variables\n",
+ "Kp=1.1*10**40 #atm**-0.5\n",
+ "dn=-0.5\n",
+ "R=0.08206 #lt atm/deg mol\n",
+ "T=298.15 #K\n",
+ "#calculations\n",
+ "Kc=Kp*(R*T)**(-dn)\n",
+ "#results\n",
+ "print '%s %.1e %s' %(\"Kc =\",Kc,\" (mol/lt)^-0.5\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Kc = 5.4e+40 (mol/lt)^-0.5\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 339"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Density of equilibrium mixture\n",
+ "#Initialization of variables\n",
+ "import numpy\n",
+ "Kp=0.141 #atm\n",
+ "P=1 #atm\n",
+ "nu=2\n",
+ "R=0.08206 #lt atm/deg mol\n",
+ "T=298.15 #K\n",
+ "M=92.02 #g/mol\n",
+ "#calculations\n",
+ "p=([Kp+ 4*P,0, -Kp])\n",
+ "z=numpy.roots(p)\n",
+ "alpha=z[0]\n",
+ "wbyV=P*M/(R*T*(1+(nu-1)*alpha))\n",
+ "#results\n",
+ "print '%s %.2f %s' %(\"Density of the equilibrium mixture =\",wbyV,\" g/lt\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Density of the equilibrium mixture = 3.18 g/lt\n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 340"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Final pressure after equilibrium\n",
+ "#Initialization of variables\n",
+ "x=0.5\n",
+ "P=0.468 #atm\n",
+ "#calculations\n",
+ "P1=x*P\n",
+ "P2=x*P\n",
+ "Kp=P1*P2\n",
+ "#results\n",
+ "print '%s %.4f %s' %(\"Final pressure after equilibrium =\",Kp,\" atm^2\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Final pressure after equilibrium = 0.0548 atm^2\n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
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