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-{
- "cells": [
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Appendix D"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example 2"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 1,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "Change in gibbs free energy at 298K : 457.179 KJ\n",
- "Change in gibbs free energy at 298K : 271.04 KJ\n"
- ]
- }
- ],
- "source": [
- "# -*- coding: utf8 -*-\n",
- "from __future__ import division\n",
- "#Example: 16.2\n",
- "'''Determine the value of \u0002G0 for the reaction 2H2O \u0003\u0004 2H2 + O2 at 25◦C and at 2000 K,\n",
- "with the water in the gaseous phase.'''\n",
- "\n",
- "#Keys:\n",
- "#1-H2\n",
- "#2-O2\n",
- "#3-H2O\n",
- "\n",
- "#Variable Declaration: \n",
- "def dG(T1,Hf1,Hf2,Hf3,Sf1,Sf2,sf3):\n",
- "\tdH = 2*Hf1+Hf2-2*Hf3\t#Change in enthalpy in kJ\n",
- "\tdS = 2*Sf1+Sf2-2*sf3 \t#Change in entropy in J/K\n",
- "\tdG = dH-T1*dS/1000\t#change n gibbs free energy in kJ\n",
- "\treturn dG\n",
- "\n",
- "#Results:\n",
- "print 'Change in gibbs free energy at 298K :',round(dG(298,0, 0, -241.826, 130.678,205.148,188.834),3),\"KJ\"\n",
- "print 'Change in gibbs free energy at 298K :',round(dG(2000,52.942, 59.176, -241.826+72.788,188.419,268.748,264.769),3),\"KJ\"\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example 3"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 2,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "Equilibrium constant at 298K: -184.51\n",
- "Equilibrium constant at 2000K: -16.299\n"
- ]
- }
- ],
- "source": [
- "# -*- coding: utf8 -*-\n",
- "from __future__ import division\n",
- "#Example: 16.3\n",
- "'''Determine the equilibrium constant K, expressed as ln K, for the reaction 2H2O <--->\n",
- "2H2 + O2 at 25◦C and at 2000 K.'''\n",
- "\n",
- "#Variable Declaration: \n",
- "dG1 = -457.166\t\t\t#change in gibbs free energy at temp 298 K from example2 in kJ\n",
- "dG2 = -271.040\t\t\t#change in gibbs free energy at temp 2000 K from example2 n kJ\n",
- "T1 = 298\t\t\t\t#K\n",
- "T2 = 2000\t\t\t\t#K\n",
- "R = 8.3145\t\t\t\t#gas constant\n",
- "\n",
- "#Calculations:\n",
- "K1 = dG1*1000/(R*T1)\n",
- "K2 = dG2*1000/(R*T2)\n",
- "\n",
- "#Results:\n",
- "print 'Equilibrium constant at 298K: ',round(K1,2)\n",
- "print 'Equilibrium constant at 2000K: ',round(K2,3)"
- ]
- }
- ],
- "metadata": {
- "kernelspec": {
- "display_name": "Python 2",
- "language": "python",
- "name": "python2"
- },
- "language_info": {
- "codemirror_mode": {
- "name": "ipython",
- "version": 2
- },
- "file_extension": ".py",
- "mimetype": "text/x-python",
- "name": "python",
- "nbconvert_exporter": "python",
- "pygments_lexer": "ipython2",
- "version": "2.7.6"
- }
- },
- "nbformat": 4,
- "nbformat_minor": 0
-}