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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# 1: Bonding in Solids"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 1.1, Page number 10"
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"potential energy is -3.981 eV\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"e=1.6*10**-19; #charge(coulomb)\n",
"x=9*10**9; \n",
"r0=2.81*10**-10; #equilibrium distance(m)\n",
"A=1.748; #madelung constant\n",
"n=9; #repulsive exponent value\n",
"\n",
"#Calculations\n",
"U0=-(x*A*e/r0)*(1-1/n); #potential energy(eV)\n",
"\n",
"#Result\n",
"print \"potential energy is\",round(U0/2,3),\"eV\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 1.2, Page number 10"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ionic cohesive energy is -6.45 eV\n",
"atomic cohesive energy is -6.17 eV\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"e=1.6*10**-19; #charge(coulomb)\n",
"x=9*10**9; \n",
"r0=3.56*10**-10; #equilibrium distance(m)\n",
"A=1.763; #madelung constant\n",
"n=10.5; #repulsive exponent value\n",
"IE=3.89; #ionisation energy(eV)\n",
"EA=-3.61; #electron affinity(eV)\n",
"\n",
"#Calculations\n",
"U0=-(x*A*e/r0)*(1-1/n); #ionic cohesive energy(eV)\n",
"U=U0+IE+EA; #atomic cohesive energy(eV)\n",
"\n",
"#Result\n",
"print \"ionic cohesive energy is\",round(U0,2),\"eV\"\n",
"print \"atomic cohesive energy is\",round(U,2),\"eV\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 1.3, Page number 11"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"binding energy is 669 *10**3 kJ/kmol\n",
"answer in the book varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"N=6.02*10**26; #Avagadro Number\n",
"e=1.6*10**-19; #charge(coulomb)\n",
"x=9*10**9; \n",
"r0=0.324*10**-9; #equilibrium distance(m)\n",
"A=1.748; #madelung constant\n",
"n=9.5; #repulsive exponent value\n",
"\n",
"#Calculations\n",
"U0=(A*e*x/r0)*(1-1/n); \n",
"U=round(U0,2)*N*e*10**-3; #binding energy(kJ/kmol)\n",
"\n",
"#Result\n",
"print \"binding energy is\",int(U/10**3),\"*10**3 kJ/kmol\"\n",
"print \"answer in the book varies due to rounding off errors\""
]
}
],
"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": "2.7.11"
}
},
"nbformat": 4,
"nbformat_minor": 0
}
|
