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diff --git a/Chemical_Reaction_Engineering/ch5.ipynb b/Chemical_Reaction_Engineering/ch5.ipynb new file mode 100755 index 00000000..24a0856c --- /dev/null +++ b/Chemical_Reaction_Engineering/ch5.ipynb @@ -0,0 +1,324 @@ +{ + "metadata": { + "name": "" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 5 : Ideal Reactors for a Single Reaction" + ] + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.1 page no : 96" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "#Concentrations in mol/litre\n", + "CAo = 0.1 # liquid\n", + "CBo = 0.01 # liquid\n", + "Cco = 0. # liquid\n", + "CAf = 0.02 # outlet stream\n", + "CBf = 0.03 # outlet stream\n", + "Ccf = 0.04; # outlet stream\n", + "#Volume in litre\n", + "V = 1.;\n", + "#Volumetric flow rate(l/min)\n", + "v = 1.;\n", + "CA = CAf;CB = CBf;Cc = Ccf;\n", + "\n", + "# Calculations\n", + "#Rate of reaction(mol/litre.min)\n", + "rA = (CAo-CA)/(V/v);\n", + "rB = (CBo-CB)/(V/v);\n", + "rc = (Cco-Cc)/(V/v);\n", + "\n", + "# Results\n", + "print \"rate of reaction of A is %.2f mol/litre.min\"%(rA)\n", + "print \"rate of reaction of B is %.2f mol/litre.min\"%(rB)\n", + "print \"rate of reaction of C is %.2f mol/litre.min\"%(rc)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "rate of reaction of A is 0.08 mol/litre.min\n", + "rate of reaction of B is -0.02 mol/litre.min\n", + "rate of reaction of C is -0.04 mol/litre.min\n" + ] + } + ], + "prompt_number": 4 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.2 page no : 97" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "%pylab inline\n", + "\n", + "import math \n", + "from numpy import *\n", + "from matplotlib.pyplot import *\n", + "from scipy import stats\n", + "\n", + "# Variables\n", + "vo = array([10,3,1.2,0.5]) #Volumetric flow rates(litre/hr)\n", + "CA = array([85.7,66.7,50,33.4]) #Concentrations (millimol/litre)\n", + "CAo = 100.;\n", + "V = 0.1; #Volume(litre)\n", + "e = (1.-2.)/2; #Expansion factor is\n", + "#Initialization\n", + "XA = zeros(4);\n", + "rA = zeros(4);\n", + "m = zeros(4);\n", + "n = zeros(4);\n", + "\n", + "# Calculations\n", + "#Relation between concentration and conversion\n", + "for i in range(4):\n", + " XA[i] = (1-CA[i]/CAo)/(1+e*CA[i]/CAo);\n", + " rA[i] = vo[i]*CAo*XA[i]/V;\n", + " m[i] = math.log10(CA[i]);\n", + " n[i] = math.log10(rA[i]);\n", + "\n", + "# Results\n", + "#For nth order plot between n & m should give a straight line\n", + "plot(m,n)\n", + "xlabel(\"log CA\")\n", + "ylabel(\"log (-rA)\")\n", + "show()\n", + "coefs = stats.linregress(m,n);\n", + "print coefs\n", + "print \"Intercept of the graph is %.2f\"%(coefs[1])\n", + "print \"Slope of the graph is %.2f\"%(coefs[0])\n", + "k = 10**coefs[1]\n", + "n = coefs[0]\n", + "print \" Taking n = 2, rate of equation is %.2f millimol/litre.hr\"%(k),\n", + "print \"CA**2 \"\n", + "print ('The sol slightly differ from that given in book because regress fn is used to calculate the slope')\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Populating the interactive namespace from numpy and matplotlib\n" + ] + }, + { + "output_type": "stream", + "stream": "stderr", + "text": [ + "WARNING: pylab import has clobbered these variables: ['rc', 'draw_if_interactive', 'e']\n", + "`%pylab --no-import-all` prevents importing * from pylab and numpy\n" + ] + }, + { + "metadata": {}, + "output_type": "display_data", + "png": 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+ "text": [ + "<matplotlib.figure.Figure at 0x29b4650>" + ] + }, + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "(1.9569709616766851, -0.39508420521305565, 0.99852626739620765, 0.001473732603792355, 0.075209753597987913)\n", + "Intercept of the graph is -0.40\n", + "Slope of the graph is 1.96\n", + " Taking n = 2, rate of equation is 0.40 millimol/litre.hr CA**2 \n", + "The sol slightly differ from that given in book because regress fn is used to calculate the slope\n" + ] + } + ], + "prompt_number": 5 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.3 page no : 99" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "'''\n", + "Note : The sol varies from book as the value of CB taken in book at end is wrong\n", + "'''\n", + "\n", + "import math \n", + "\n", + "# Variables\n", + "CAo = 1.4\n", + "CBo = 0.8\n", + "CRo = 0.\n", + "#Volume(litre)\n", + "V = 6.\n", + "\n", + "# Calculations\n", + "#For 75% conversion of B\n", + "#From stoichiometry of equation A+2B-->R\n", + "CA = 1.4-(0.75*0.8)/2.;\n", + "CB = 0.8-(0.75*0.8);\n", + "CR = (0.75*0.8)/2.;\n", + "#From the Given rate equation(mol/litre.min)\n", + "rB = 2*(12.5*CA*CB*CB-1.5*CR);\n", + "#Volumetric flow rate is given by\n", + "v = V*rB/(CBo-CB);\n", + "\n", + "# Results\n", + "print \" volumetric flow rate into and out of the reactor is %.1f litre/min\"%(v)" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " volumetric flow rate into and out of the reactor is 2.0 litre/min\n" + ] + } + ], + "prompt_number": 6 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.4 page no : 104" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "import math \n", + "from scipy.integrate import quad \n", + "\n", + "# Variables\n", + "eA = (4-2.)/2;\n", + "CAo = 0.0625; # mol/liter\n", + "xAo = 0.\n", + "xAf = 0.8 # conversion\n", + "k = 0.01;\n", + "\n", + "# Calculations\n", + "def f1(xA): \n", + "\t return math.sqrt((1+xA)/(1-xA))\n", + "\n", + "X = quad(f1,xAo,xAf)[0]\n", + "t = math.sqrt(CAo)*X/k;\n", + "\n", + "# Results\n", + "print \" Space timesec needed is %.2f sec\"%(t)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " Space timesec needed is 33.18 sec\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 2, + "metadata": {}, + "source": [ + "Example 5.5 page no : 106" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "import math \n", + "\n", + "# Variables\n", + "T = 922. #Temperature(kelvin)\n", + "P = 460000.; # kPA\n", + "FAo = 40. # pure phosphine\n", + "k = 10.\n", + "R = 8.314;\n", + "\n", + "# Calculations\n", + "CAo = P/(R*T); # mol/m3\n", + "e = (7-4)/4.;\n", + "XA = 0.8;\n", + "\n", + "#The volume of plug flow reactor is given by\n", + "V = FAo*((1+e)*math.log(1./(1-XA))-e*XA)/(k*CAo);\n", + "\n", + "# Results\n", + "print \" volume of reactor is %.3f m**3\"%(V)\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + " volume of reactor is 0.148 m**3\n" + ] + } + ], + "prompt_number": 9 + }, + { + "cell_type": "code", + "collapsed": false, + "input": [], + "language": "python", + "metadata": {}, + "outputs": [] + } + ], + "metadata": {} + } + ] +}
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