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diff --git a/Elements_Of_Physical_Chemistry_by_P_Atkins/3-Thermochemistry.ipynb b/Elements_Of_Physical_Chemistry_by_P_Atkins/3-Thermochemistry.ipynb new file mode 100644 index 0000000..7ef50a2 --- /dev/null +++ b/Elements_Of_Physical_Chemistry_by_P_Atkins/3-Thermochemistry.ipynb @@ -0,0 +1,244 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 3: Thermochemistry" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.1_e: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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\n", +"//Results\n", +"printf('Molar enthalpy change = %.1f kJ/mol',H/1000.)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.1_i: illustration_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Enthalpy change =%.1f kJ/mol',H)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.2_e: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Heat supplied = %.1f kJ',q)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.3_e: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Sum of enthalpy changes = %d kJ',H)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.4_e: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Standard enthalpy of combustion of propene = %d kJ/mol',H)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.5_e: Example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Standard enthalpy of combustion of benzene is %d kJ/mol',H-1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.6_e: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\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", +"printf('Enthalpy of fromation of water at 100 C is %.2f kJ/mol',dH)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} |