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diff --git a/Physical_Chemistry_by_D._Farrington/Chapter19_Statistical.ipynb b/Physical_Chemistry_by_D._Farrington/Chapter19_Statistical.ipynb new file mode 100644 index 00000000..7e84c41e --- /dev/null +++ b/Physical_Chemistry_by_D._Farrington/Chapter19_Statistical.ipynb @@ -0,0 +1,159 @@ +{ + "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 +} |