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author | hardythe1 | 2015-04-07 15:58:05 +0530 |
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committer | hardythe1 | 2015-04-07 15:58:05 +0530 |
commit | c7fe425ef3c5e8804f2f5de3d8fffedf5e2f1131 (patch) | |
tree | 725a7d43dc1687edf95bc36d39bebc3000f1de8f /Thermodynamics,_Statistical_Thermodynamics,_&_Kinetics/Chapter09.ipynb | |
parent | 62aa228e2519ac7b7f1aef53001f2f2e988a6eb1 (diff) | |
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diff --git a/Thermodynamics,_Statistical_Thermodynamics,_&_Kinetics/Chapter09.ipynb b/Thermodynamics,_Statistical_Thermodynamics,_&_Kinetics/Chapter09.ipynb new file mode 100755 index 00000000..3141af69 --- /dev/null +++ b/Thermodynamics,_Statistical_Thermodynamics,_&_Kinetics/Chapter09.ipynb @@ -0,0 +1,545 @@ +{
+ "metadata": {
+ "name": "",
+ "signature": "sha256:c2f0eb9f813e96ecfb0ebcea9c89faad6a2b8ee530cc39d385b0a4ab04407ef5"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 09: Ideal and Real Solutions"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.2, Page Number 202"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "from math import log\n",
+ "\n",
+ "#Variable Declaration\n",
+ "nb = 5.00 #Number of moles of Benzene, mol\n",
+ "nt = 3.25 #Number of moles of Toluene, mol\n",
+ "T = 298.15 #Temperature, K\n",
+ "P = 1.0 #Pressure, bar\n",
+ "R = 8.314 #Ideal Gas Constant, J/(mol.K)\n",
+ "\n",
+ "#Calculations\n",
+ "n = nb + nt\n",
+ "xb = nb/n\n",
+ "xt = 1. - xb\n",
+ "dGmix = n*R*T*(xb*log(xb)+xt*log(xt))\n",
+ "dSmix = n*R*(xb*log(xb)+xt*log(xt))\n",
+ "\n",
+ "#Results\n",
+ "print 'Gibbs energy change of mixing is %4.3e J'%dGmix\n",
+ "print 'Gibbs energy change of mixing is < 0, hence the mixing is spontaneous'\n",
+ "print 'Entropy change of mixing is %4.2f J/K'%dSmix"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Gibbs energy change of mixing is -1.371e+04 J\n",
+ "Gibbs energy change of mixing is < 0, hence the mixing is spontaneous\n",
+ "Entropy change of mixing is -45.99 J/K\n"
+ ]
+ }
+ ],
+ "prompt_number": 9
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.3, Page Number 205"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "nb = 5.00 #Number of moles of Benzene, mol\n",
+ "nt = 3.25 #Number of moles of Toluene, mol\n",
+ "T = 298.15 #Temperature, K\n",
+ "R = 8.314 #Ideal Gas Constant, J/(mol.K)\n",
+ "P0b = 96.4 #Vapor pressure of Benzene, torr\n",
+ "P0t = 28.9 #Vapor pressure of Toluene, torr\n",
+ "\n",
+ "#Calculations\n",
+ "n = nb + nt\n",
+ "xb = nb/n\n",
+ "xt = 1. - xb\n",
+ "P = xb*P0b + xt*P0t\n",
+ "y = (P0b*P - P0t*P0b)/(P*(P0b-P0t))\n",
+ "yt = 1.-yb\n",
+ "\n",
+ "#Results\n",
+ "print 'Total pressure of the vapor is %4.1f torr'%P\n",
+ "print 'Benzene fraction in vapor is %4.3f '%yb\n",
+ "print 'Toulene fraction in vapor is %4.3f '%yt"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Total pressure of the vapor is 69.8 torr\n",
+ "Benzene fraction in vapor is 0.837 \n",
+ "Toulene fraction in vapor is 0.163 \n"
+ ]
+ }
+ ],
+ "prompt_number": 12
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.4, Page Number 206"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "from sympy import *\n",
+ "#Variable Declaration\n",
+ "nb = 5.00 #Number of moles of Benzene, mol\n",
+ "nt = 3.25 #Number of moles of Toluene, mol\n",
+ "T = 298.15 #Temperature, K\n",
+ "R = 8.314 #Ideal Gas Constant, J/(mol.K)\n",
+ "P0b = 96.4 #Vapor pressure of Benzene, torr\n",
+ "P0t = 28.9 #Vapor pressure of Toluene, torr\n",
+ "nv = 1.5 #moles vaporized, mol\n",
+ "\n",
+ "#Calculations\n",
+ "n = nb + nt\n",
+ "nl = n - nv\n",
+ "zb = nb/n\n",
+ "\n",
+ "x,y, P = symbols('x y P')\n",
+ "e1 = nv*(y-zb)-nl*(zb-x)\n",
+ "print 'Mass Balance:', e1\n",
+ "e2 = P - (x*P0b + (1-x)*P0t)\n",
+ "print 'Pressure and x:',e2\n",
+ "e3 = y - (P0b*P - P0t*P0b)/(P*(P0b-P0t))\n",
+ "print 'Pressure and y:', e3\n",
+ "equations = [e1,e2,e3]\n",
+ "sol = solve(equations)\n",
+ "\n",
+ "#Results\n",
+ "for i in sol:\n",
+ " if ((i[x] > 0.0 and i[x] <1.0) and (i[P] > 0.0) and (i[y]>zb and i[y]<1.0)):\n",
+ " print 'Pressure is %4.2f torr' %i[P]\n",
+ " print 'Mole fraction of benzene in liquid phase %4.3f' %i[x]\n",
+ " print 'Mole fraction of benzene in vapor phase %4.3f' %i[y]\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Mass Balance: 6.75*x + 1.5*y - 5.0\n",
+ "Pressure and x: P - 67.5*x - 28.9\n",
+ "Pressure and y: y - 0.0148148148148148*(96.4*P - 2785.96)/P\n",
+ "Pressure is 66.75 torr"
+ ]
+ },
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "\n",
+ "Mole fraction of benzene in liquid phase 0.561\n",
+ "Mole fraction of benzene in vapor phase 0.810\n"
+ ]
+ }
+ ],
+ "prompt_number": 3
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.6, Page Number 212"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "m = 4.50 #Mass of substance dissolved, g\n",
+ "ms = 125.0 #Mass of slovent (CCl4), g\n",
+ "TbE = 0.65 #Boiling point elevation, \u00b0C\n",
+ "Kf, Kb = 30.0, 4.95 #Constants for freezing point elevation \n",
+ " # and boiling point depression for CCl4, K kg/mol\n",
+ "Msolvent = 153.8 #Molecualr wt of solvent, g/mol\n",
+ "#Calculations\n",
+ "DTf = -Kf*TbE/Kb\n",
+ "Msolute = Kb*m/(ms*1e-3*TbE)\n",
+ "nsolute = m/Msolute\n",
+ "nsolvent = ms/Msolvent \n",
+ "x = 1.0 - nsolute/(nsolute + nsolvent)\n",
+ "\n",
+ "#Results\n",
+ "print 'Freezing point depression %5.2f K'%DTf\n",
+ "print 'Molecualr wt of solute %4.1f g/mol'%Msolute\n",
+ "print 'Vapor pressure of solvent is reduced by a factor of %4.3f'%x"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Freezing point depression -3.94 K\n",
+ "Molecualr wt of solute 274.2 g/mol\n",
+ "Vapor pressure of solvent is reduced by a factor of 0.980\n"
+ ]
+ }
+ ],
+ "prompt_number": 69
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.7, Page Number 214"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "csolute = 0.500 #Concentration of solute, g/L\n",
+ "R = 8.206e-2 #Gas constant L.atm/(mol.K)\n",
+ "T = 298.15 #Temperature of the solution, K\n",
+ "\n",
+ "#Calculations\n",
+ "pii = csolute*R*T\n",
+ "\n",
+ "#Results\n",
+ "print 'Osmotic pressure %4.2f atm'%pii\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Osmotic pressure 12.23 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 70
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.8, Page Number 220"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "xCS2 = 0.3502 #Mol fraction of CS2, g/L\n",
+ "pCS2 = 358.3 #Partial pressure of CS2, torr\n",
+ "p0CS2 = 512.3 #Total pressure, torr\n",
+ "\n",
+ "#Calculations\n",
+ "alpha = pCS2/p0CS2\n",
+ "gama = alpha/xCS2\n",
+ "\n",
+ "#Results\n",
+ "print 'Activity of CS2 %5.4f atm'%alpha\n",
+ "print 'Activity coefficinet of CS2 %5.4f atm'%gama"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Activity of CS2 0.6994 atm\n",
+ "Activity coefficinet of CS2 1.9971 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 72
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.9, Page Number 220"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "xCS2 = 0.3502 #Mol fraction of CS2, g/L\n",
+ "pCS2 = 358.3 #Partial pressure of CS2, torr\n",
+ "kHCS2 = 2010. #Total pressure, torr\n",
+ "\n",
+ "#Calculations\n",
+ "alpha = pCS2/kHCS2\n",
+ "gama = alpha/xCS2\n",
+ "\n",
+ "#Results\n",
+ "print 'Activity of CS2 %5.4f atm'%alpha\n",
+ "print 'Activity coefficinet of CS2 %5.4f atm'%gama"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Activity of CS2 0.1783 atm\n",
+ "Activity coefficinet of CS2 0.5090 atm\n"
+ ]
+ }
+ ],
+ "prompt_number": 73
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.10, Page Number 221"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "rho = 789.9 #Density of acetone, g/L\n",
+ "n = 1.0 #moles of acetone, mol\n",
+ "M = 58.08 #Molecular wt of acetone, g/mol\n",
+ "kHacetone = 1950 #Henrys law constant, torr\n",
+ "#Calculations\n",
+ "H = n*M*kHacetone/rho\n",
+ "\n",
+ "#Results\n",
+ "print 'Henrys constant = %5.2f torr'%H"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Henrys constant = 143.38 torr\n"
+ ]
+ }
+ ],
+ "prompt_number": 76
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.11, Page Number 221"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "m = 0.5 #Mass of water, kg\n",
+ "ms = 24.0 #Mass of solute, g\n",
+ "Ms = 241.0 #Molecular wt of solute, g/mol\n",
+ "Tfd = 0.359 #Freezinf point depression, \u00b0C or K\n",
+ "kf = 1.86 #Constants for freezing point depression for water, K kg/mol\n",
+ "\n",
+ "#Calculations\n",
+ "msolute = ms/(Ms*m)\n",
+ "gama = Tfd/(kf*msolute)\n",
+ "\n",
+ "#Results\n",
+ "print 'Activity coefficient = %4.3f'%gama"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Activity coefficient = 0.969\n"
+ ]
+ }
+ ],
+ "prompt_number": 81
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.12, Page Number 223"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#Variable Declaration\n",
+ "m = 70.0 #Mass of human body, kg\n",
+ "V = 5.00 #Volume of blood, L\n",
+ "HN2 = 9.04e4 #Henry law constant for N2 solubility in blood, bar\n",
+ "T = 298.0 #Temperature, K\n",
+ "rho = 1.00 #density of blood, kg/L\n",
+ "Mw = 18.02 #Molecualr wt of water, g/mol\n",
+ "X = 80 #Percent of N2 at sea level\n",
+ "p1, p2 = 1.0, 50.0 #Pressures, bar\n",
+ "R = 8.314e-2 #Ideal Gas constant, L.bar/(mol.K)\n",
+ "#Calculations\n",
+ "nN21 = (V*rho*1e3/Mw)*(p1*X/100)/HN2\n",
+ "nN22 = (V*rho*1e3/Mw)*(p2*X/100)/HN2\n",
+ "V = (nN22-nN21)*R*T/p1\n",
+ "#Results\n",
+ "print 'Number of moles of nitrogen in blood at 1 and 50 bar are %3.2e,%3.3f mol'%(nN21,nN22)\n",
+ "print 'Volume of nitrogen released from blood at reduced pressure %4.3f L'%V"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Number of moles of nitrogen in blood at 1 and 50 bar are 2.46e-03,0.123 mol\n",
+ "Volume of nitrogen released from blood at reduced pressure 2.981 L\n"
+ ]
+ }
+ ],
+ "prompt_number": 90
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example Problem 9.14, Page Number 226"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "from numpy import arange,array,ones,linalg, divide\n",
+ "from pylab import plot,show\n",
+ "\n",
+ "#Variable Declaration\n",
+ "cCB = array([1e-6,2e-6,3e-6,5e-6,10e-6])\n",
+ "nu = array([0.006,0.012,0.018,0.028,0.052])\n",
+ "y = nu/cCB\n",
+ "print y\n",
+ "xlim(0.0, 0.06)\n",
+ "ylim(5000,6300)\n",
+ "#Calculations\n",
+ "A = array([ nu, ones(size(nu))])\n",
+ "print A\n",
+ "# linearly generated sequence\n",
+ "\n",
+ "w = linalg.lstsq(A.T,y)[0] # obtaining the parameters\n",
+ "print 'slope %8.1f'%w[0]\n",
+ "print 'Intercept %8.1f' %w[1]\n",
+ "# Use w[0] and w[1] for your calculations and give good structure to this ipython notebook\n",
+ "# plotting the line\n",
+ "line = w[0]*nu+w[1] # regression line\n",
+ " \n",
+ "#Results\n",
+ "plot(nu,line,'r-',nu,y,'o')\n",
+ "show()"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "[ 6000. 6000. 6000. 5600. 5200.]\n",
+ "[[ 0.006 0.012 0.018 0.028 0.052]\n",
+ " [ 1. 1. 1. 1. 1. ]]"
+ ]
+ },
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "\n",
+ "slope -19188.2\n",
+ "Intercept 6205.2\n"
+ ]
+ },
+ {
+ "metadata": {},
+ "output_type": "display_data",
+ "png": 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+ "text": [
+ "<matplotlib.figure.Figure at 0x59f38d0>"
+ ]
+ }
+ ],
+ "prompt_number": 16
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [],
+ "language": "python",
+ "metadata": {},
+ "outputs": []
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
\ No newline at end of file |