Merge pull request #1 from prashantsinalkar/masterHEADmaster

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diff --git a/Elements_Of_Physical_Chemistry_by_P_Atkins/20-Statistical_thermodynamics.ipynb b/Elements_Of_Physical_Chemistry_by_P_Atkins/20-Statistical_thermodynamics.ipynb
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+{
+"cells": [
+ {
+		   "cell_type": "markdown",
+	   "metadata": {},
+	   "source": [
+       "# Chapter 20: Statistical thermodynamics"
+	   ]
+	},
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.1_e: example_1.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"E=22 //kJ/mol\n",
+"R=8.214 //J/K mol\n",
+"T=293 //K\n",
+"//Calculations\n",
+"q=1+%e^(-E*10^3 /(R*T))\n",
+"//results\n",
+"printf('At 20 C, partition function = %.4f',q)"
+   ]
+   }
+,
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.1_i: illustration_1.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"E=22*10^3 //kJ/mol\n",
+"T=293 //K \n",
+"//calculations\n",
+"ratio=%e^(-E/(8.31451*T))\n",
+"//results\n",
+"printf('Relative populations of boat and chair conformations is %.1e',ratio)"
+   ]
+   }
+,
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.2_i: illustration_2.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"g2=5\n",
+"g1=3\n",
+"E2=6\n",
+"E1=2\n",
+"k=1.38*10^-23 //J/K\n",
+"h=6.626*10^-34 //J s\n",
+"B=3.18*10^11 //Hz\n",
+"//calculations\n",
+"ratio=g2/g1 *(%e^((E1-E2)*h*B/(k*T)))\n",
+"//results\n",
+"printf('Ratio= %.2f',ratio)"
+   ]
+   }
+,
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.3_e: example_3.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"k=1.38*10^-23 //J/K\n",
+"h=6.626*10^-34 //J s\n",
+"B=3.18*10^11 //Hz\n",
+"T=298 //K\n",
+"R=8.314 //J/K mol\n",
+"//calculations\n",
+"Sm=R*(1+log(k*T/(h*B)))\n",
+"//results\n",
+"printf('Contribution to rotational motion= %.1f J/ K mol',Sm)"
+   ]
+   }
+,
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.3_i: illustration_3.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"T=298  //K\n",
+"m=32*1.66054*10^-27 //kg\n",
+"k=1.38066*10^-23 //j/k\n",
+"V=10^-4 //m^3\n",
+"h=6.62608*10^-34 //J/s\n",
+"//calculations\n",
+"q=(2*%pi*m*k*T)^1.5 *V/h^3 \n",
+"//results\n",
+"printf('Translational partition function = %.2e',q)"
+   ]
+   }
+,
+{
+		   "cell_type": "markdown",
+		   "metadata": {},
+		   "source": [
+			"## Example 20.5_e: example_5.sce"
+		   ]
+		  },
+  {
+"cell_type": "code",
+	   "execution_count": null,
+	   "metadata": {
+	    "collapsed": true
+	   },
+	   "outputs": [],
+"source": [
+"clc\n",
+"//Initialization of variables\n",
+"me=9.10939*10^-31 //kg\n",
+"k=1.38*10^-23 //J/K\n",
+"h=6.626*10^-34 //J s\n",
+"p=10^5 //Pa\n",
+"T=1000 //K\n",
+"R=8.314 //J/K mol\n",
+"I=376*10^3 //J/mol\n",
+"//calculations\n",
+"K=(2*%pi*me)^1.5 *(k*T)^2.5 /(p*h^3) *%e^(-I/(R*T))\n",
+"//results\n",
+"printf('Equilibrium constant = %.2e',K)"
+   ]
+   }
+],
+"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
+}