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authorkinitrupti2017-05-12 18:53:46 +0530
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+{
+ "metadata": {
+ "name": ""
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 1: Bonding in Solids"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1.1, Page number 1.4"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "\n",
+ "from math import pi\n",
+ "\n",
+ "#Variable declartion\n",
+ "E_a = 502 #first ionization energy of A(kJ/mol)\n",
+ "E_b = -335 #electron affinity for B atom(kJ/mol)\n",
+ "d = 3*10**-10 #inter-ionic seperation(m)\n",
+ "E = 8.85*10**-12 #permittivity of free space(C/N -m)\n",
+ "e = 1.602*10**-19#charge of an electron(C)\n",
+ "\n",
+ "#Calculations\n",
+ "C_e = (-e**2)/(4*pi*E*d) #Coulumbic attraction energy(J/ion pair)\n",
+ "C_e_kj = C_e *6.022*10**23*10**-3 #Converting C_e to KJ/mol\n",
+ "n_e = E_a + E_b + C_e_kj #Net change in energy per mole\n",
+ "\n",
+ "#Results\n",
+ "print \"Net change in energy is =\",round(n_e,3),\"kJ/mol\"\n",
+ "print \"As the net change in energy is negative, the molecule will be stable\"\n",
+ "print \"\\nThe solution differs because of rounding-off of the digits in the textbook\""
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Net change in energy is = -296.224 kJ/mol\n",
+ "As the net change in energy is negative, the molecule will be stable\n",
+ "\n",
+ "The solution differs because of rounding-off of the digits in the textbook\n"
+ ]
+ }
+ ],
+ "prompt_number": 19
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1.2, Page number 1.4"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "\n",
+ "from math import pi \n",
+ "\n",
+ "#Variable declaration\n",
+ "IP_K = 4.1 #ionization energy of K(eV)\n",
+ "EA_Cl = 3.6 #electron affinity of Cl(eV)\n",
+ "e = 1.602*10**-19 #charge of an electron(C)\n",
+ "Eo = 8.85*10**-12 #permittivity of free space(C/N -m)\n",
+ "\n",
+ "#Calcuations\n",
+ "del_E = IP_K - EA_Cl\n",
+ "#Ec = 0.5 = -e/4*pi*Eo*R\n",
+ "R = e/(4*pi*Eo*del_E)\n",
+ "\n",
+ "#Results\n",
+ "print \"(a) If their total energy is to be zero, then del_E = Ec\"\n",
+ "print \"(b) The seperation between the ion pair is\", round((R/1E-9),2), \"nm\""
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "(a) If their total energy is to be zero, then del_E = Ec\n",
+ "(b) The seperation between the ion pair is 2.88 nm\n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1.3, Page number 1.5"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "\n",
+ "from math import pi\n",
+ "\n",
+ "#Variable declaration\n",
+ "ro = 2.36*10**-10 #inter ionic equilibrium distance(m)\n",
+ "IP = 5.14 #ionization energy of Na(eV)\n",
+ "EA = 3.65 #electron affinity of Cl(eV)\n",
+ "e = 1.602*10**-19 #charge of an electron(C)\n",
+ "Eo = 8.85*10**-12 #permittivity of free space(C/N -m)\n",
+ "\n",
+ "#Calculations\n",
+ "Ue = (-e**2)/(4*pi*Eo*ro*e) #Potential energy in eV\n",
+ "Be = -Ue - IP + EA\n",
+ "\n",
+ "#Result\n",
+ "print \"Bond energy for NaCl molecule is\",round(Be,2),\"eV\""
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Bond energy for NaCl molecule is 4.61 eV\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1.4, Page number 1.18"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "\n",
+ "from math import pi\n",
+ "\n",
+ "#Variable declaration\n",
+ "ro = 0.281*10**-9 #equilibrium seperation between the ion pair(m)\n",
+ "IP = 5.14 #ionization energy of Na(eV)\n",
+ "EA = 3.61 #electron affinity of Cl(eV)\n",
+ "A = 1.748 #Madelung constant\n",
+ "n = 9. #born replusive exponent\n",
+ "e = 1.602*10**-19 #charge of an electron(C)\n",
+ "Eo = 8.85*10**-12 #permittivity of free space(C/N -m)\n",
+ "\n",
+ "#Calculations\n",
+ "Ce = (A*(e**2)*(1-(1/n)))/(4*pi*Eo*ro) #joules\n",
+ "Ce_ev = Ce/e #Converting joules to eV\n",
+ "\n",
+ "#Result\n",
+ "print \"The cohesive energy of NaCl molecule is\",round(Ce_ev,2),\"eV\""
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "The cohesive energy of NaCl molecule is 7.97 eV\n"
+ ]
+ }
+ ],
+ "prompt_number": 22
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+} \ No newline at end of file