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+{

+ "metadata": {

+  "name": "",

+  "signature": "sha256:358f4a01b294025154ed5b68aa4867e70b7293d6e35ba5318010f0ecabaea268"

+ },

+ "nbformat": 3,

+ "nbformat_minor": 0,

+ "worksheets": [

+  {

+   "cells": [

+    {

+     "cell_type": "heading",

+     "level": 1,

+     "metadata": {},

+     "source": [

+      "1: Bonding in Solids"

+     ]

+    },

+    {

+     "cell_type": "heading",

+     "level": 2,

+     "metadata": {},

+     "source": [

+      "Example number 1.1, Page number 1.4"

+     ]

+    },

+    {

+     "cell_type": "code",

+     "collapsed": false,

+     "input": [

+      "#importing modules\n",

+      "import math\n",

+      "from __future__ import division\n",

+      "\n",

+      "#Variable declaration\n",

+      "IE_1 = 502     #first ionisation energy(kJ/mol)\n",

+      "EA_B = -335    #electron affinity for B atom(kJ/mol)\n",

+      "e = 1.602*10**-19\n",

+      "r = 0.3      #inter ionic seperation(nm)\n",

+      "epsilon0 = 8.85*10**-12      #permittivity of free space(C/N-m)\n",

+      "\n",

+      "#Calculation\n",

+      "r = r*10**-9      #inter ionic seperation(m)\n",

+      "N = 6.022*10**23*10**-3\n",

+      "E = (-e**2*N)/(4*math.pi*epsilon0*r)      #electrostatic attraction energy(kJ/mol)\n",

+      "dE = IE_1+EA_B+E;     #net change in energy per mole\n",

+      "\n",

+      "#Result\n",

+      "print \"electrostatic attraction energy is\",int(E),\"kJ/mol\"\n",

+      "print \"net change in energy is\",int(dE),\"kJ/mol\"\n",

+      "print \"A+B- molecule will be stable\"\n",

+      "print \"answer for net change,dE given in the book is wrong\""

+     ],

+     "language": "python",

+     "metadata": {},

+     "outputs": [

+      {

+       "output_type": "stream",

+       "stream": "stdout",

+       "text": [

+        "electrostatic attraction energy is -463 kJ/mol\n",

+        "net change in energy is -296 kJ/mol\n",

+        "A+B- molecule will be stable\n",

+        "answer for net change,dE given in the book is wrong\n"

+       ]

+      }

+     ],

+     "prompt_number": 2

+    },

+    {

+     "cell_type": "heading",

+     "level": 2,

+     "metadata": {},

+     "source": [

+      "Example number 1.2, Page number 1.5"

+     ]

+    },

+    {

+     "cell_type": "code",

+     "collapsed": false,

+     "input": [

+      "#importing modules\n",

+      "import math\n",

+      "from __future__ import division\n",

+      "\n",

+      "#Variable declaration\n",

+      "IP_K = 4.1     #IP of K(eV)\n",

+      "EA_Cl = 3.6     #EA of Cl(eV)\n",

+      "e = 1.602*10**-19\n",

+      "epsilon0 = 8.85*10**-12 \n",

+      "\n",

+      "#Calculation\n",

+      "delta_E = IP_K - EA_Cl      #energy required(eV)\n",

+      "#if their total energy is 0, delta_E = Ec\n",

+      "Ec = delta_E\n",

+      "R = e/(4*math.pi*epsilon0*Ec)      #seperation between ion pair(m)\n",

+      "R = R*10**9          #seperation between ion pair(nm)\n",

+      "R = math.ceil(R*10**3)/10**3;   #rounding off to 3 decimals\n",

+      "\n",

+      "#Result\n",

+      "print \"energy required to form K+Cl- ion pair is\",delta_E,\"eV\"\n",

+      "print \"seperation between ion pair is\",R,\"nm\""

+     ],

+     "language": "python",

+     "metadata": {},

+     "outputs": [

+      {

+       "output_type": "stream",

+       "stream": "stdout",

+       "text": [

+        "energy required to form K+Cl- ion pair is 0.5 eV\n",

+        "seperation between ion pair is 2.881 nm\n"

+       ]

+      }

+     ],

+     "prompt_number": 3

+    },

+    {

+     "cell_type": "heading",

+     "level": 2,

+     "metadata": {},

+     "source": [

+      "Example number 1.3, Page number 1.6"

+     ]

+    },

+    {

+     "cell_type": "code",

+     "collapsed": false,

+     "input": [

+      "#importing modules\n",

+      "import math\n",

+      "from __future__ import division\n",

+      "\n",

+      "#Variable declaration\n",

+      "e = 1.602*10**-19\n",

+      "EA = 3.65     #electron affinity of Cl(eV)\n",

+      "IP = 5.14     #ionisation energy of Na(eV)\n",

+      "epsilon0 = 8.85*10**-12\n",

+      "r0 = 236      #equilibrium distance(pm)\n",

+      "\n",

+      "#Calculation\n",

+      "r0 = r0*10**-12      #equilibrium distance(m)\n",

+      "V = (-e**2)/(4*math.pi*epsilon0*r0)       ##potential energy(J)\n",

+      "V = V/e       #potential energy(eV)\n",

+      "Ue = V\n",

+      "BE = -Ue - IP + EA       #bond energy(eV)\n",

+      "BE = math.ceil(BE*10**3)/10**3;   #rounding off to 3 decimals\n",

+      "\n",

+      "#Result\n",

+      "print \"bond energy for NaCl molecule is\",BE,\"eV\""

+     ],

+     "language": "python",

+     "metadata": {},

+     "outputs": [

+      {

+       "output_type": "stream",

+       "stream": "stdout",

+       "text": [

+        "bond energy for NaCl molecule is 4.614 eV\n"

+       ]

+      }

+     ],

+     "prompt_number": 4

+    },

+    {

+     "cell_type": "heading",

+     "level": 2,

+     "metadata": {},

+     "source": [

+      "Example number 1.4, Page number 1.19"

+     ]

+    },

+    {

+     "cell_type": "code",

+     "collapsed": false,

+     "input": [

+      "#importing modules\n",

+      "import math\n",

+      "from __future__ import division\n",

+      "\n",

+      "#Variable declaration\n",

+      "e = 1.602*(10**-19)\n",

+      "epsilon0 = 8.85*(10**-12)\n",

+      "r0 = 0.281     #equilibrium seperation(nm)\n",

+      "A = 1.748     #Madelung constant\n",

+      "n = 9    #born repulsive exponent\n",

+      "\n",

+      "#Calculation\n",

+      "r0 = r0*10**-9     #equilibrium seperation(m)\n",

+      "CE = (A*e**2)*(1-(1/n))/(4*math.pi*epsilon0*r0)    #cohesive energy(J)\n",

+      "CE = CE/e       #cohesive energy(eV)\n",

+      "CE = math.ceil(CE*10**3)/10**3;   #rounding off to 3 decimals\n",

+      "\n",

+      "#Result\n",

+      "print \"cohesive energy of NaCl is\",CE,\"eV\""

+     ],

+     "language": "python",

+     "metadata": {},

+     "outputs": [

+      {

+       "output_type": "stream",

+       "stream": "stdout",

+       "text": [

+        "cohesive energy of NaCl is 7.966 eV\n"

+       ]

+      }

+     ],

+     "prompt_number": 5

+    }

+   ],

+   "metadata": {}

+  }

+ ]

+}
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