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authorkinitrupti2017-05-12 18:53:46 +0530
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+{
+ "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