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{
"metadata": {
"name": ""
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
"cell_type": "heading",
"level": 1,
"metadata": {},
"source": [
"Chapter 16 - Molecular substances"
]
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example E1 - Pg 385"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calculate the net dipole moment\n",
"#Initialization of variables\n",
"import math\n",
"e=1.609*math.pow(10,-19) #C\n",
"#calculations\n",
"mux=(-0.36*e*(-0.8) + 0.45*e*(2.1) )*math.pow(10,-12) /(3.33564*math.pow(10,-30))\n",
"muy=-0.96\n",
"muz=0\n",
"mux=-1.1\n",
"mu=math.sqrt(mux*mux+muy*muy+muz*muz)\n",
"#results\n",
"print '%s %.1f %s' %(\"Net dipole moment =\",mu,\"D\")"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Net dipole moment = 1.5 D\n"
]
}
],
"prompt_number": 1
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example E2 - Pg 390"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calculate the potential energy of the system\n",
"#Initialization of variables\n",
"import math\n",
"Na=6.023*math.pow(10,23) # /mol\n",
"e=1.60228*math.pow(10,-19) #C\n",
"e0=8.85419*math.pow(10,-12) #C^2/J m\n",
"#calculations\n",
"factor=Na*e*e /(4*math.pi*e0)\n",
"#Multiply by Z^2/R to get the value of potential energy. Plot the graph\n",
"#results\n",
"print '%s %.3e %s' %(\"Potential energy =\",factor,\" Z*Z/R kJ/mol\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Potential energy = 1.390e-04 Z*Z/R kJ/mol\n"
]
}
],
"prompt_number": 2
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example I1 - Pg 383"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calcualte the predicted dipole moment\n",
"#Initialization of variables\n",
"EH=2.1\n",
"EBr=2.8\n",
"#calculations\n",
"diff=-EH+EBr\n",
"#results\n",
"print '%s %.1f %s' %(\"Prediced dipole moment =\",diff,\"D\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Prediced dipole moment = 0.7 D\n"
]
}
],
"prompt_number": 3
},
{
"cell_type": "heading",
"level": 2,
"metadata": {},
"source": [
"Example I2 - Pg 387"
]
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"#calculate the potential energy\n",
"#Initialization of variables\n",
"import math\n",
"mu1=1.4 #D\n",
"mu2=1.4 #D\n",
"angle=180. #degrees\n",
"d=3 #nm\n",
"D=4.7*math.pow(10,-30) #C m\n",
"#calculations\n",
"Vmol=D*D*(1-3*math.cos(angle*math.pi/180.)*math.cos(angle*math.pi/180.))/(4*math.pi*8.854*math.pow(10,-12) *math.pow((d*math.pow(10,-9)),3))\n",
"V=Vmol*(6.023*math.pow(10,23))\n",
"#results\n",
"print '%s %.1f %s' %(\"Potential energy =\",V,\" J/mol\")\n"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Potential energy = -8.9 J/mol\n"
]
}
],
"prompt_number": 4
}
],
"metadata": {}
}
]
}
|
