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authorkinitrupti2017-05-12 18:40:35 +0530
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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
-}