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+{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:9cfae4f7a986d325f2eab7e6f5652e4123a3be0877578166dbb4520edb5ed59f"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 2 - Structures of Condensed Phases"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 1 - pg 74"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the size of cubic unit cell\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "l= 1.5418 #A\n",
+ "a= 19.076 #degrees\n",
+ "d2= 1.444 #A\n",
+ "#CALCULATIONS\n",
+ "d= l/(2*math.sin(a*math.pi/180.))\n",
+ "a= math.sqrt(8*d2*d2)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' size of cubic unit cell =',a,'A')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " size of cubic unit cell = 4.0842 A\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 2 - pg 75"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the Density of silver\n",
+ "#initialisation of variables\n",
+ "M= 107.88 #gm\n",
+ "z= 4\n",
+ "v= 4.086 #A\n",
+ "N= 6.023*10**23\n",
+ "#CALCULATIONS\n",
+ "d= z*M/(v**3*10**-24*N)\n",
+ "#RESULTS\n",
+ "print '%s %.4f %s' % (' Density of silver =',d,'gm cm^-3')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " Density of silver = 10.5025 gm cm^-3\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 3 - pg 75"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the molecular weight\n",
+ "#initialisation of variables\n",
+ "d= 1.287 #g cm**-3\n",
+ "a= 123 #A\n",
+ "z= 4\n",
+ "#CALCULATIONS\n",
+ "M= d*6.023*10**23*a**3*10**-24/z\n",
+ "#RESULTS\n",
+ "print '%s %.1e %s' % (' molecular weight =',M,'gm ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " molecular weight = 3.6e+05 gm \n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 4 - pg 78"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of silver atom\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "a= 4.086 #A\n",
+ "#CALCULATIONS\n",
+ "d= a*math.sqrt(2)\n",
+ "r= d/4.\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' radius of silver atom=',r,' A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius of silver atom= 1.445 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 4
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 5 - pg 99"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the surface tension\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "M= 38.3 #mg cm^-1\n",
+ "d= 13.55 #g cm^-3\n",
+ "p= 0.9982 #g cm^-3\n",
+ "g= 980.7 #cm/sec^2\n",
+ "l= 4.96 #cm\n",
+ "#CALCULATIONS\n",
+ "r= math.sqrt(M*10**-3/(d*math.pi))\n",
+ "R= r*p*g*l/2\n",
+ "#RESULTS\n",
+ "print '%s %.1f %s' % (' surface tension =',R,' ergs cm^-2 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " surface tension = 72.8 ergs cm^-2 \n"
+ ]
+ }
+ ],
+ "prompt_number": 5
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 6 - pg 103"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the dipole moment of water\n",
+ "#initialisation of variables\n",
+ "import math\n",
+ "r= 1.333\n",
+ "d= 0.9982 #g cm**-3\n",
+ "m= 18.02 #gm\n",
+ "Pm= 74.22 #cc\n",
+ "k= 8.314*10**7 \n",
+ "N= 6.023*10**23\n",
+ "T= 293 #k\n",
+ "#CALCULATIONS\n",
+ "Rm= ((r**2-1)/(r**2+2))*m/d\n",
+ "u= math.sqrt(9*k*T*(Pm-Rm)/(4*math.pi*N**2))\n",
+ "#RESULTS\n",
+ "print '%s %.2e %s' % (' dipole moment of water =',u,'e.s.u ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " dipole moment of water = 1.84e-18 e.s.u \n"
+ ]
+ }
+ ],
+ "prompt_number": 6
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 7 - pg 103"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of argon atom\n",
+ "#initialisation of variables\n",
+ "a= 1.66*10**-24 #cm**3\n",
+ "#CALCULATIONS\n",
+ "r= a**(1/3.)/10**-8\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' radius =',r,'A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius = 1.18 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 7
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 8 - pg 104"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the index of refraction\n",
+ "import math\n",
+ "#initialisation of variables\n",
+ "N= 6.023*10**23 #molecules\n",
+ "a= 10**-24\n",
+ "k= 0.89\n",
+ "cl= 3.60\n",
+ "M= 74.56 #gms\n",
+ "d= 1.989 #g/cm^3\n",
+ "#CACLULATIONS\n",
+ "Rm= 4*math.pi*N*(k+cl)*a/3\n",
+ "r= Rm*d/M\n",
+ "n= math.sqrt((2*r+1)/(1-r))\n",
+ "#RESULTS\n",
+ "print '%s %.3f' % (' index of refraction= ',n)\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " index of refraction= 1.516\n"
+ ]
+ }
+ ],
+ "prompt_number": 8
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 9 - pg 104"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the radius of K and Cl atoms\n",
+ "#initialisation of variables\n",
+ "v= 3.6 #cc\n",
+ "v1= 0.89 #cc\n",
+ "s= 3.146 #A\n",
+ "#CALCULATIONS\n",
+ "r= (v/v1)**(1/3.)\n",
+ "r1 = s/(1+r)\n",
+ "r2 = s-r1\n",
+ "#RESULTS\n",
+ "print '%s %.3f %s' % (' radius of k+=',r1,'A ')\n",
+ "print '%s %.3f %s' % (' \\n radius of cl-=',r2,'A ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " radius of k+= 1.213 A \n",
+ " \n",
+ " radius of cl-= 1.933 A \n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 10 - pg 107"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the angle of rotation\n",
+ "#initialisation of variables\n",
+ "g= 10 #gm\n",
+ "d= 1.038 #gm/mol\n",
+ "M= 100 #gm\n",
+ "x= 66.412\n",
+ "y= 0.127\n",
+ "z= 0.038\n",
+ "l= 20 #cm\n",
+ "#CALCULATIONS\n",
+ "p= g/(M/d)\n",
+ "X= x+y-z\n",
+ "ar= X*l*p/10.\n",
+ "#RESULTS\n",
+ "print '%s %.2f %s' % (' angle of rotation=',ar,'degrees ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " angle of rotation= 13.81 degrees \n"
+ ]
+ }
+ ],
+ "prompt_number": 10
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example 11 - pg 108"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the viscosity of toluene\n",
+ "#initialisation of variables\n",
+ "t= 68.9 #sec\n",
+ "t1= 102.2 #sec\n",
+ "p1= 0.866 #g/cm^3\n",
+ "p2= 0.998 #gm/cm^3\n",
+ "n= 0.01009 #dynesc/cm^2\n",
+ "#CALCULATIONS\n",
+ "N= n*t*p1/(t1*p2)\n",
+ "#RESULTS\n",
+ "print '%s %.5f %s' % (' viscosity of toluene=',N,'dyne sec/cm^2 ')\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ " viscosity of toluene= 0.00590 dyne sec/cm^2 \n"
+ ]
+ }
+ ],
+ "prompt_number": 11
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+} \ No newline at end of file
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