From d36fc3b8f88cc3108ffff6151e376b619b9abb01 Mon Sep 17 00:00:00 2001 From: kinitrupti Date: Fri, 12 May 2017 18:40:35 +0530 Subject: Revised list of TBCs --- .../Chapter1_1.ipynb | 209 --------------------- 1 file changed, 209 deletions(-) delete mode 100755 Engineering_Physics_by_P.K.Palanisamy/Chapter1_1.ipynb (limited to 'Engineering_Physics_by_P.K.Palanisamy/Chapter1_1.ipynb') diff --git a/Engineering_Physics_by_P.K.Palanisamy/Chapter1_1.ipynb b/Engineering_Physics_by_P.K.Palanisamy/Chapter1_1.ipynb deleted file mode 100755 index 3dd56e56..00000000 --- a/Engineering_Physics_by_P.K.Palanisamy/Chapter1_1.ipynb +++ /dev/null @@ -1,209 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "#1: Bonding in Solids" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "##Example number 1.1, Page number 1.4" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "net change in energy per mole is -296 kJ/mol\n", - "answer varies due to rounding off errors\n", - "since the net change in energy is negative, the A+B- molecule will be stable\n" - ] - } - ], - "source": [ - "#importing modules\n", - "import math\n", - "from __future__ import division\n", - "\n", - "#Variable declaration\n", - "e=1.602*10**-19; #charge of electron(c)\n", - "epsilon0=8.85*10**-12; #permittivity(C/Nm)\n", - "r=3*10**-10; #seperation(m)\n", - "N=6.022*10**20;\n", - "Ea=502; #ionisation energy of A(kJ/mol)\n", - "Eb=-335; #electron affinity for B(kJ/mol)\n", - "\n", - "#Calculation\n", - "E=-e**2*N/(4*math.pi*epsilon0*r); #electrostatic attraction(kJ/mol)\n", - "nE=Ea+Eb+E; #net change in energy per mole(kJ/mol)\n", - "\n", - "#Result\n", - "print \"net change in energy per mole is\",int(nE),\"kJ/mol\"\n", - "print \"answer varies due to rounding off errors\"\n", - "print \"since the net change in energy is negative, the A+B- molecule will be stable\"" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "##Example number 1.2, Page number 1.4" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "energy required is 0.5 eV\n", - "seperation is 2.88 nm\n" - ] - } - ], - "source": [ - "#importing modules\n", - "import math\n", - "from __future__ import division\n", - "\n", - "#Variable declaration\n", - "IPk=4.1; #IP of K(eV)\n", - "EACl=3.6; #EA of Cl(eV)\n", - "e=1.602*10**-19; #charge of electron(c)\n", - "onebyepsilon0=9*10**9;\n", - "\n", - "#Calculation\n", - "deltaE=IPk-EACl;\n", - "Ec=deltaE; #energy required(eV)\n", - "R=e*onebyepsilon0/deltaE; #seperation(m)\n", - "\n", - "#Result\n", - "print \"energy required is\",Ec,\"eV\"\n", - "print \"seperation is\",round(R*10**9,2),\"nm\"" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "##Example number 1.3, Page number 1.5" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "bond energy is 4.61 eV\n" - ] - } - ], - "source": [ - "#importing modules\n", - "import math\n", - "from __future__ import division\n", - "\n", - "#Variable declaration\n", - "e=1.602*10**-19; #charge of electron(c)\n", - "epsilon0=8.85*10**-12; #permittivity(C/Nm)\n", - "r0=236*10**-12; #seperation(m)\n", - "N=6.022*10**20;\n", - "IP=5.14; #ionisation energy of A(kJ/mol)\n", - "EA=3.65; #electron affinity for B(kJ/mol)\n", - "\n", - "#Calculation\n", - "Ue=-e**2/(4*math.pi*epsilon0*r0*e); #potential energy(eV)\n", - "BE=-Ue-IP+EA; #bond energy(eV)\n", - "\n", - "#Result\n", - "print \"bond energy is\",round(BE,2),\"eV\"" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "##Example number 1.4, Page number 1.18" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "cohesive energy is 7.965 eV\n" - ] - } - ], - "source": [ - "#importing modules\n", - "import math\n", - "from __future__ import division\n", - "\n", - "#Variable declaration\n", - "A=1.748; #madelung constant\n", - "n=9; #born repulsive exponent\n", - "e=1.602*10**-19; #charge of electron(c)\n", - "epsilon0=8.85*10**-12; #permittivity(C/Nm)\n", - "r0=0.281*10**-9; #seperation(m)\n", - "IE=5.14; #ionisation energy of A(kJ/mol)\n", - "EA=3.61; #electron affinity for B(kJ/mol)\n", - "\n", - "#Calculation\n", - "CE=A*e**2*(1-(1/n))/(4*math.pi*epsilon0*r0*e); #cohesive energy(eV)\n", - "\n", - "#Result\n", - "print \"cohesive energy is\",round(CE,3),\"eV\"" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 2", - "language": "python", - "name": "python2" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 2 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.9" - } - }, - "nbformat": 4, - "nbformat_minor": 0 -} -- cgit