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{
"metadata": {
"name": ""
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
"cell_type": "heading",
"level": 1,
"metadata": {},
"source": [
"Chapter 15 - Metallic and Ionic Solids"
]
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example E1 - Pg 361"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calculate the lattice energy\n",
"#Initialization of variables\n",
"Hs=89 #kJ/mol\n",
"HI=418 #kJ/mol\n",
"HD=244 #kJ/mol\n",
"HE=-349 #kJ/mol\n",
"Hf=-437 #kJ/mol\n",
"#calculations\n",
"HL=Hs+HD/2. +HI+HE-Hf\n",
"#results\n",
"print '%s %d %s' %(\"Lattice energy =\",HL,\"kJ/mol\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Lattice energy = 717 kJ/mol\n"
]
}
],
"prompt_number": 1
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example E2 - Pg 369"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#Calculate the separation between the molecules in both the cases\n",
"#Initialization of variables\n",
"import math\n",
"a=0.82 #nm\n",
"b=0.94 #nm\n",
"c=0.75 #nm\n",
"h=1.\n",
"k=2.\n",
"l=3.\n",
"#calculations\n",
"invd=math.sqrt(h*h/(a*a) + k*k/(b*b) + l*l/(c*c))\n",
"d=1./invd\n",
"invd2=math.sqrt(h*h*4/(a*a) + k*k*4/(b*b) + l*l*4/(c*c))\n",
"d2=1./invd2\n",
"#results\n",
"print '%s %.2f %s' %(\"In case 1, separation =\",d,\" nm\")\n",
"print '%s %.2f %s' %(\"\\n In case 2, separation =\",d2,\" nm\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"In case 1, separation = 0.21 nm\n",
"\n",
" In case 2, separation = 0.11 nm\n"
]
}
],
"prompt_number": 2
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example E3 - Pg 371"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calculate the length of the side of the unit cell\n",
"#Initialization of variables\n",
"import math\n",
"l=154. #pm\n",
"theta=11.2 #degrees\n",
"#calculations\n",
"d=l/(2*math.sin(theta*math.pi/180.))\n",
"a=d*math.sqrt(3)\n",
"#results\n",
"print '%s %.1f %s' %(\"Length of the side of the unit cell =\",a,\"pm\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Length of the side of the unit cell = 686.6 pm\n"
]
}
],
"prompt_number": 3
}
],
"metadata": {}
}
]
}
|
