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+{
+ "cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "# Chapter19 Statistical Mechanics"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 19.1,Page no.73"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 1,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Wabc = 6\n",
+ "Waab = 3\n",
+ "Waaa = 1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "Na=1\n",
+ "Nb=1\n",
+ "Nc=1\n",
+ "Na1=2\n",
+ "Nb1=1\n",
+ "Nc1=0\n",
+ "Na2=3 \n",
+ "Nb2=0 \n",
+ "Nc2=0 \n",
+ "#CALCULATIONS \n",
+ "Wabc=math.factorial(Na+Nb+Nc)/(math.factorial(Na)*math.factorial( Nb)*math.factorial(Nc))\n",
+ "Waab=math.factorial(Na1+Nb1+Nc1)/(math.factorial(Na1)*math.factorial(Nb1)*math.factorial(Nc1))\n",
+ "Waaa=math.factorial(Na2+Nb2+Nc2)/(math.factorial(Na2)*math.factorial(Nb2)*math.factorial(Nc2))\n",
+ "#RESULTS\n",
+ "print 'Wabc =',Wabc\n",
+ "print 'Waab =',Waab\n",
+ "print 'Waaa =',Waaa"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 19.2,Page no.74"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 2,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Enthalpy = 36.586 cal degˆ−1 moleˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "K=4.9860 # cal degˆ−1 moleˆ−1\n",
+ "K1=-31.6 # cal degˆ−1 moleˆ−1\n",
+ "#CALCULATIONS\n",
+ "S=K-K1\n",
+ "#RESULTS\n",
+ "S=round(S,3)\n",
+ "print 'Enthalpy =',S,'cal degˆ−1 moleˆ−1'"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 19.4,Page no.74"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 3,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Transitional energy 31.704 cal degˆ−1 mole ˆ−1\n",
+ "rotational energy = 5.916 cal degˆ−1 mole ˆ−1\n"
+ ]
+ }
+ ],
+ "source": [
+ "import math\n",
+ "#initialisation of variables\n",
+ "No=0.979889\n",
+ "v=2989.74 #cmˆ−1\n",
+ "rc=1.2746 #A\n",
+ "T=25 #C\n",
+ "E1=6.8635 # cal degˆ−1 moleˆ−1\n",
+ "E2=11.4392 # cal degˆ−1 moleˆ−1 \n",
+ "E3= 7.2820 # cal degˆ−1 moleˆ−1 \n",
+ "E4= 4.5757 # cal degˆ−1 moleˆ−1 \n",
+ "E5= 2.7676 # cal degˆ−1 moleˆ−1 \n",
+ "r1= 0.265 #A \n",
+ "r= 35.99 #A \n",
+ "#CALCULATIONS \n",
+ "Et=E1*math.log10(r)+E2*math.log10 (273.15+T)-E3\n",
+ "Ei=E4*math.log10(r1)+E4*math.log10 (273.15+T)-E5\n",
+ "#RESULTS\n",
+ "Et=round(Et,3)\n",
+ "Ei=round(Ei,3)\n",
+ "print 'Transitional energy',Et,'cal degˆ−1 mole ˆ−1'\n",
+ "print 'rotational energy =',Ei,'cal degˆ−1 mole ˆ−1'"
+ ]
+ }
+ ],
+ "metadata": {
+ "kernelspec": {
+ "display_name": "Python [Root]",
+ "language": "python",
+ "name": "Python [Root]"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 2
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython2",
+ "version": "2.7.11"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 0
+}