path: root/Chemical_Reaction_Engineering/ch5.ipynb

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  {
   "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",
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IlI+6m6q4RYvMRXH5+eaiuL59VSBEpPzUkqiicnJgxAizi+m998zZSyIiF0st\niSrGMGDaNLP10LChOYtJBUJEKkotiSokKwseeQT27oX58831DyIilaGWRBXgcpm7tMbGwg03/Pdg\nIBGRylJLws9t22ZOazUMWLYMwsPtTiQiVYlaEn6qsBD+938hPh4GDIDly1UgRMTz1JLwQ5mZ5pYa\nV10F69bBH/9odyIRqarUkvAjp07BX/8KiYkwciR89pkKhIhYS0XCTyxdCm3awIED5qK4QYO0KE5E\nrGdZkcjKyqJr165EREQQGRnJ+PHjz7ln7NixxMbGEhsbS5s2bahZsya5ublWRfJLx46ZXUsPPGBu\nqTFtGjRoYHcqEakuAgxPnJRdhuzsbLKzs4mJiSE/P5927doxd+5cwsLCyrx/4cKFjBs3jiVLlpQO\n6KHDvP1RWho8+ij07g2vvgqXXWZ3IhHxF5767LRs4LpRo0Y0atQIgODgYMLCwjhw4IDbIjFt2jTu\nueceq+L4lYMHYfhw2LIFZs40ZzCJiNjBK7Obdu/ezfr164mLiyvz+qlTp/jyyy959913y7yemppa\n8rXD4cDhcFiQ0n6GAe+/b+7Y+vDDZtdSrVp2pxIRf+B0OnE6nR5/Xcu6m87Kz8/H4XDw7LPP0rt3\n7zLvmTlzJtOmTWPevHnnBqwm3U07dpiF4cQJc0O+6Gi7E4mIP/PUZ6els5sKCwtJSkpi0KBBbgsE\nwIwZM6ptV1NREYwda26nkZhoHiWqAiEivsKyloRhGAwZMoTQ0FDeeOMNt/fl5eVx7bXXsm/fPmrX\nrn1uwCrcktiwwZy5FBIC//d/0KKF3YlEpKrw+YHrFStWMHXqVKKiooiNjQVg9OjR7N27F4Dk5GQA\n5s6dS0JCQpkFoqo6cwZefhkmTzZnLT34oNY8iIhvsnxMorKqWkti+XIYNgwiIuDtt6FxY7sTiUhV\n5PMtCSnt+HF46imYNw/eegvuusvuRCIiF6ZtObxg4ULzpLiCAnNLDRUIEfEXaklY6PBheOwxWLMG\nPvoIbr7Z7kQiIhdHLQkLGAZMmWJuyNe0qXnOtAqEiPgjtSQ8bM8e85zpAwfMrbzbt7c7kYhIxakl\n4SHFxeaAdLt20KmTeTCQCoSI+Du1JDxgyxbznOlLLoGMDGjd2u5EIiKeoZZEJRQUwEsvQefO5iFA\n33yjAiEiVYtaEhW0erXZerj6ali/Hpo1szuRiIjnqUhcpJMn4dlnYfp0eOMNGDBAW2qISNWl7qaL\nsHixuSiEyB+1AAAKYUlEQVQuJ8dcFHfPPSoQIlK1qSVRDkePwv/8D6Snw8SJcNttdicSEfEOtSTO\nwzBg9myz9XDZZWbrQQVCRKoTtSTc2L/fPGf6hx/gk0/gxhvtTiQi4n1qSfyOy2UeABQTA1FR5swl\nFQgRqa7UkviNH380z3o4fRq+/trce0lEpDpTSwLznOm//x06doQ774SVK1UgRERALQnWrzfPmQ4N\nhbVroXlzuxOJiPiOatuSOH3aPCkuIQEefRS++qr8BcLpdFqarSKUqfx8MZcylY8yeZ9lRSIrK4uu\nXbsSERFBZGQk48ePL/M+p9NJbGwskZGROBwOq+KU8s03EB0NP/0EGzfC/fdf3KI4X3xTKFP5+WIu\nZSofZfI+y7qbAgMDeeONN4iJiSE/P5927drRvXt3wsLCSu7Jzc1l+PDhfPnllzRt2pScnByr4gCQ\nlwdPPmkeJ/rOO+b4g4iIuGdZS6JRo0bExMQAEBwcTFhYGAcOHCh1z7Rp00hKSqJp06YAXHHFFVbF\nYf58c1GcYZiL4lQgREQuLMAwDMPqH7J79266dOnC5s2bCQ4OLvn+448/TmFhIZs3b+bEiRM89thj\nDB48uHRAbY4kIlIhnvh4t3x2U35+Pn379uXNN98sVSAACgsLWbduHUuXLuXUqVN07NiRG264geuu\nu67kHi/UMBERccPSIlFYWEhSUhKDBg2id+/e51xv1qwZV1xxBbVr16Z27dp07tyZDRs2lCoSIiJi\nH8vGJAzDYOjQoYSHhzNixIgy77nzzjvJyMiguLiYU6dOsXr1asLDw62KJCIiF8mylsSKFSuYOnUq\nUVFRxMbGAjB69Gj27t0LQHJyMq1bt6ZHjx5ERUVRo0YNhg0bpiIhIuJLDJs88MADRsOGDY3IyMgy\nr6enpxuXXXaZERMTY8TExBgvv/xyybVFixYZrVq1Mlq2bGmMGTPGtkwvvfRSybWrr77aaNOmjRET\nE2Ncf/31Xst0NldMTIwRERFhdOnSpeT7Vj2nyuay61m99tprJf/vIiMjjUsuucQ4duyYYRj2vafO\nl8mu53TkyBEjISHBiI6ONiIiIowPP/yw5Jqd76nz5bLrWR09etTo3bu3ERUVZXTo0MH4z3/+U3LN\nrvfU+TJV5DnZViSWLVtmrFu37rwfyHfcccc53y8qKjJatGhh7Nq1yygoKDCio6ONLVu22JrJMAzj\nmmuuMX7++WeP5LiYTMeOHTPCw8ONrKwswzDMv0iGYe1zqkwuw7DvWf3WggULjG7duhmGYe97yl0m\nw7DvOb3wwgvGU089ZRiG+f+tfv36RmFhoe3vKXe5DMO+Z/XXv/615B+L27Zt84n3lLtMhlGx52Tb\nthydOnXi8ssvP+89Rhkzm9asWUPLli255pprCAwMZMCAAcybN8/WTOW5VlEXyuRurYmVz6kyuc6y\n41n9Pt8999wD2P+eKivTWXY8p8aNG3P8+HEAjh8/TmhoKDVr1rT9PeUu11l2PKutW7fStWtXAFq1\nasXu3bs5fPiwre+psjIdOXKk5PrFPief3bspICCAlStXEh0dTc+ePdmyZQsA+/fvp1mzZiX3NW3a\nlP3799ua6ey1W265hfbt2zN58mSv5AH48ccfOXr0KF27dqV9+/ZMmTIFsPc5nS8X2Peszjp16hRf\nfvklSUlJgP3PqqxMYN9zGjZsGJs3b6ZJkyZER0fz5ptvAvY/J3e5wL5nFR0dzZw5cwDzHxt79uxh\n3759tj4rd5mgYs/JZ3eBbdu2LVlZWQQFBbFo0SJ69+7NDz/84LOZVqxYQePGjTly5Ajdu3endevW\ndOrUyfJM7taa2L0I8XxrYDIyMmjSpInXn9VZCxYsID4+nnr16gG+sWDz95nAvvfU6NGjiYmJwel0\nsnPnTrp3786GDRss/7kVzVW3bl3bntVTTz3FY489RmxsLG3atCE2NpZLLrnE1veUu0xAhf7u+WxL\nom7dugQFBQFw2223UVhYyNGjR2natClZWVkl92VlZZV0adiVCcymMECDBg3o06cPa9as8UqmZs2a\nceutt1K7dm1CQ0NL1ppcddVVtj2n8+UCaNKkCeD9Z3XWjBkzSnXr2P2sysoE9r2nVq5cSb9+/QBo\n0aIFzZs3Z/v27bb+3TtfLrDvWdWtW5cPPviA9evX8/HHH3PkyBFatGhh63uqrEzXXnstULG/ez5b\nJA4dOlTSd7ZmzRoMw6B+/fq0b9+eH3/8kd27d1NQUMDMmTPp1auXrZlOnTrFiRMnADh58iRfffUV\nbbx0apG7tSZ2Pqfz5bLzWQHk5eWxbNky7vzN5l12P6uyMtn5nFq3bs2SJUsA8z2/fft2rr32Wtuf\nk7tcdj6rvLw8CgoKAJg8eTJdunQhODjY1mflLlNFn5Nt3U333HMP33zzDTk5OTRr1owXX3yRwsJC\nwFxD8cknnzBhwgRq1qxJUFAQM2bMMAPXrMnbb79NQkICxcXFDB06tNTOsnZkys7O5q677gKgqKiI\ne++9l1tvvdUrmc631sSq51SZXD/99JNtzwpg7ty5JCQkULt27ZLfZ+d7yl2mQ4cO0adPH8D7z+np\np5/mgQceIDo6GpfLxT/+8Q/q168P2PuecpfLzvfUli1buP/++wkICCAyMpL3338fsPc95S5TRd9T\nXtngT0RE/JPPdjeJiIj9VCRERMQtFQkREXFLRUJERNxSkZBq7/eHYVXG2LFjCQsLIzY2lg4dOpRa\naZ6Tk0NgYCCTJk3y2M8TsZqKhFR7nlodO3HiRJYuXcratWtZv349S5cuLbVPzuzZs+nRowfTp0/3\nyM8T8QYVCZFfGYbByJEjadOmDVFRUcyaNQsAl8vFn/70J8LCwrj11ltJTEwkLS3tnN//6quvMmHC\nhJKWSd26dbnvvvtKrs+YMYNXXnmFw4cPe31vKJGKUpEQ+dWcOXPYsGEDGzduZMmSJYwcOZLs7Gzm\nzJnDnj172Lp1K1OmTGHVqlXntD6OHz/OiRMnuOaaa8p87aysLA4fPkx0dDR9+/Zl5syZXvgTiVSe\nioTIrzIyMhg4cCABAQE0bNiQLl26sHbtWlasWEH//v0BuPLKK0u2Yb4YM2fOpG/fvgD069dPXU7i\nN3x2F1gRbwsICHC71/6FNia47LLLCA4OZteuXTRv3vyc69OnT+fQoUNMnToVgIMHD7Jjxw5atmxZ\n+eAiFlJLQuRXnTp1YubMmbhcLo4cOcKyZcuIi4vjpptuIi0tDcMwOHToEE6ns8zfP2rUKIYPH16y\niVp+fj5Tpkzhhx9+4OTJk+zbt49du3axa9cunnrqKbUmxC+oSEi1d3Z8oU+fPkRFRREdHU23bt14\n7bXXaNiwYckJe+Hh4QwePJi2bdsSEhJyzuukpKTQtWtXrr/+etq0aUPnzp2pUaMGM2bMKNmA7qyk\npKSSDSJFfJk2+BMph5MnT1KnTh1+/vln4uLiWLlyJQ0bNrQ7lojlNCYhUg633347ubm5FBQU8Pzz\nz6tASLWhloSIiLilMQkREXFLRUJERNxSkRAREbdUJERExC0VCRERcUtFQkRE3Pr/gw9wApXt65gA\nAAAASUVORK5CYII=\n",
       "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": {}
  }
 ]
}