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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 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
}
|
