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Diffstat (limited to 'Elements_of_Physical_Chemistry/Chapter16.ipynb')
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diff --git a/Elements_of_Physical_Chemistry/Chapter16.ipynb b/Elements_of_Physical_Chemistry/Chapter16.ipynb new file mode 100755 index 00000000..c958cdd7 --- /dev/null +++ b/Elements_of_Physical_Chemistry/Chapter16.ipynb @@ -0,0 +1,170 @@ +{
+ "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": {}
+ }
+ ]
+}
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