diff options
Diffstat (limited to 'Elements_of_Physical_Chemistry/Chapter3.ipynb')
| -rwxr-xr-x | Elements_of_Physical_Chemistry/Chapter3.ipynb | 291 |
1 files changed, 291 insertions, 0 deletions
diff --git a/Elements_of_Physical_Chemistry/Chapter3.ipynb b/Elements_of_Physical_Chemistry/Chapter3.ipynb new file mode 100755 index 00000000..87d165d7 --- /dev/null +++ b/Elements_of_Physical_Chemistry/Chapter3.ipynb @@ -0,0 +1,291 @@ +{
+ "metadata": {
+ "name": ""
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 3 - Thermochemistry"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example I1 - Pg 67"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the change in enthalpy\n",
+ "#Initialization of variables\n",
+ "dU=-969.6 #kJ/mol\n",
+ "nN2=1/2.\n",
+ "nCO2=2.\n",
+ "nO2=9./4.\n",
+ "T=298.15 #K\n",
+ "#Calculations\n",
+ "n=nCO2+nN2-nO2\n",
+ "H=dU+n*8.3145*T/1000.\n",
+ "#results\n",
+ "print '%s %.1f %s' %('Enthalpy change = ',H,'kJ/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Enthalpy change = -969.0 kJ/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E1 - Pg 58"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the Molar Enthalpy Change\n",
+ "#Initialization of variables\n",
+ "I=0.682 #A\n",
+ "V=12 #V\n",
+ "t=500. #s\n",
+ "m=4.33 #g\n",
+ "MW=46.07 #g/mol\n",
+ "#Calculations\n",
+ "q=I*V*t\n",
+ "n=m/MW\n",
+ "H=q/n/1000.\n",
+ "#Results\n",
+ "print '%s %.1f %s' %('Molar enthalpy change =',H,'kJ/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Molar enthalpy change = 43.5 kJ/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E2 - Pg 62"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the Heat supplied\n",
+ "#Initialization of variables\n",
+ "m=1 #g\n",
+ "MW=24.31 #g/mol\n",
+ "H=2337 #kJ/mol\n",
+ "#Calculations\n",
+ "n=m/MW\n",
+ "q=n*H\n",
+ "#results\n",
+ "print '%s %.1f %s' %('Heat supplied =',q,'kJ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Heat supplied = 96.1 kJ\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E3 - Pg 65"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the sum of enthalpy changes\n",
+ "#Initialization of variables\n",
+ "HC=716.68 #kJ\n",
+ "HH=871.88 #kJ\n",
+ "HO=249.17 #kJ\n",
+ "Hcond=-38 #kJ\n",
+ "HCH=-412\n",
+ "HCO=-360\n",
+ "HOH=-463\n",
+ "#Calculations\n",
+ "H1=HC+HH+HO\n",
+ "H2=3*HCH+HCO+HOH\n",
+ "H3=Hcond\n",
+ "H=H1+H2+H3\n",
+ "#results\n",
+ "print '%s %d %s' %('Sum of enthalpy changes =',H,' kJ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Sum of enthalpy changes = -259 kJ\n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E4 - Pg 68"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the standard enthalpy of combustion of propene\n",
+ "#Initialization of variables\n",
+ "Hf=-124 #kJ\n",
+ "Hoxi=-2220 #kJ\n",
+ "Hwater=286 #kJ\n",
+ "#Calculations\n",
+ "H=Hf+Hoxi+Hwater\n",
+ "#results\n",
+ "print '%s %d %s' %('Standard enthalpy of combustion of propene =',H,'kJ/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Standard enthalpy of combustion of propene = -2058 kJ/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E5 - Pg 70"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the standard enthalpy of combustion of benzene\n",
+ "#Initialization of variables\n",
+ "nCO2=6 #mol\n",
+ "nH2O=3 #mol\n",
+ "nO2=15/2. #mol\n",
+ "nC6H6=1 #mol\n",
+ "HC6H6=49 #kJ/mol\n",
+ "HH2O=-285.83\n",
+ "HO2=0\n",
+ "HCO2=-393.51 \n",
+ "#Calculations\n",
+ "H=nCO2*HCO2+nH2O*HH2O-nC6H6*HC6H6-nO2*HO2\n",
+ "#results\n",
+ "print '%s %.1f %s' %('Standard enthalpy of combustion of benzene is',H,'kJ/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Standard enthalpy of combustion of benzene is -3267.6 kJ/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E6 - Pg 74"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Calculate the enthalpy of formation of water\n",
+ "#Initialization of variables\n",
+ "HH2O=-241.82 #kJ/mol\n",
+ "T1=25 #C\n",
+ "T2=100 #C\n",
+ "CpH2O=33.58 #J/K mol\n",
+ "CpH2=28.84 #J/K mol\n",
+ "CpO2=29.37 #J/K mol\n",
+ "#calculations\n",
+ "dCp=CpH2O-CpH2-0.5*CpO2\n",
+ "dH=HH2O+dCp*(T2-T1)/1000.\n",
+ "#results\n",
+ "print '%s %.2f %s' %('Enthalpy of formation of water at 100 C is',dH,'kJ/mol')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Enthalpy of formation of water at 100 C is -242.57 kJ/mol\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file |