{
 "metadata": {
  "name": ""
 },
 "nbformat": 3,
 "nbformat_minor": 0,
 "worksheets": [
  {
   "cells": [
    {
     "cell_type": "heading",
     "level": 1,
     "metadata": {},
     "source": [
      "Chapter 14 - Equilibrium and the third law"
     ]
    },
    {
     "cell_type": "heading",
     "level": 2,
     "metadata": {},
     "source": [
      "Example 1 - Pg 372"
     ]
    },
    {
     "cell_type": "code",
     "collapsed": false,
     "input": [
      "#calculate the equlibrium constant\n",
      "#Initialization of variables\n",
      "import math\n",
      "n1=0.95\n",
      "n2=0.05\n",
      "n3=0.025\n",
      "P=147 #psia\n",
      "pa=14.7 #psia\n",
      "#calculations\n",
      "n=n1+n2+n3\n",
      "p1=n1/n *P/pa\n",
      "p2=n2/n *P/pa\n",
      "p3=n3/n *P/pa\n",
      "Kp1= p1/(p2*math.pow(p3,0.5))\n",
      "Kp2= p1*p1 /(p2*p2 *p3)\n",
      "#results\n",
      "print '%s %.1f' %(\"In case 1, Equilibrium constant = \",Kp1)\n",
      "print '%s %.1f' %(\"\\n In case 2, Equilibrium constant =  \",Kp2)\n"
     ],
     "language": "python",
     "metadata": {},
     "outputs": [
      {
       "output_type": "stream",
       "stream": "stdout",
       "text": [
        "In case 1, Equilibrium constant =  38.5\n",
        "\n",
        " In case 2, Equilibrium constant =   1480.1\n"
       ]
      }
     ],
     "prompt_number": 1
    },
    {
     "cell_type": "heading",
     "level": 2,
     "metadata": {},
     "source": [
      "Example 2 - Pg 373"
     ]
    },
    {
     "cell_type": "code",
     "collapsed": false,
     "input": [
      "#calculate the degree of dissociation\n",
      "#Initialization of variables\n",
      "kp=5. \n",
      "import numpy\n",
      "from numpy import roots\n",
      "#calculations\n",
      "vec=numpy.roots([24,0, 3,-2])\n",
      "x=vec[2]\n",
      "vec2=numpy.roots([249,0,3,-2])\n",
      "y=vec2[2]\n",
      "#results\n",
      "print '%s %.2f' %(\"\\n degree of dissociation = \",x)\n",
      "print '%s %.2f' %(\"\\n If pressure =10 . degree of dissociation =\",y)"
     ],
     "language": "python",
     "metadata": {},
     "outputs": [
      {
       "output_type": "stream",
       "stream": "stdout",
       "text": [
        "\n",
        " degree of dissociation =  0.34\n",
        "\n",
        " If pressure =10 . degree of dissociation = 0.18\n"
       ]
      },
      {
       "output_type": "stream",
       "stream": "stderr",
       "text": [
        "-c:12: ComplexWarning: Casting complex values to real discards the imaginary part\n",
        "-c:13: ComplexWarning: Casting complex values to real discards the imaginary part\n"
       ]
      }
     ],
     "prompt_number": 2
    },
    {
     "cell_type": "heading",
     "level": 2,
     "metadata": {},
     "source": [
      "Example 3 - Pg 373"
     ]
    },
    {
     "cell_type": "code",
     "collapsed": false,
     "input": [
      "#calculate the degree of dissociation\n",
      "#Initialization of variables\n",
      "k=5.\n",
      "import numpy\n",
      "from numpy import roots\n",
      "#calculations\n",
      "p=[k*k-1, k-5*k*k,7*k*k, -3*k*k]\n",
      "vec=roots(p)\n",
      "x=vec[2]\n",
      "#results\n",
      "print '%s %.2f' %(\"degree of dissociation = \",x)\n"
     ],
     "language": "python",
     "metadata": {},
     "outputs": [
      {
       "output_type": "stream",
       "stream": "stdout",
       "text": [
        "degree of dissociation =  0.78\n"
       ]
      }
     ],
     "prompt_number": 4
    },
    {
     "cell_type": "heading",
     "level": 2,
     "metadata": {},
     "source": [
      "Example 4 - Pg 395"
     ]
    },
    {
     "cell_type": "code",
     "collapsed": false,
     "input": [
      "#calculate the work done in all the cases\n",
      "import math\n",
      "#Initialization of variables\n",
      "T=77+460. #R\n",
      "x1=0.21\n",
      "x2=1-x1\n",
      "G=-169557 #Btu/mole\n",
      "n1=1\n",
      "n2=3.76\n",
      "R0=1.986\n",
      "v=0.0885\n",
      "pi=14.7\n",
      "J=778.\n",
      "#calculations\n",
      "dg1=-n1*R0*T*math.log(x1)\n",
      "dg2=-n2*R0*T*math.log(x2)\n",
      "dg=dg1+dg2\n",
      "dG=dg+G\n",
      "W=-dG\n",
      "W2=-G\n",
      "p=0.0004 #atm\n",
      "G1=-n1*R0*T*math.log(1./p)\n",
      "W3= -(dg1+G+G1)\n",
      "dgf=v*pi*144/J\n",
      "#results\n",
      "print '%s %d %s' %(\"In case 1,Work done =\",W,\"Btu/mole C\")\n",
      "print '%s %d %s' %(\"\\n In case 2,Work done =\",W2,\"Btu/mole C\")\n",
      "print '%s %d %s' %(\"\\n In case 3,Work done =\",W3,\"Btu/mole C\")\n",
      "print '%s %.2f %s' %(\"\\n In case 4,Work done =\",dgf,\" Btu/mole C\")\n"
     ],
     "language": "python",
     "metadata": {},
     "outputs": [
      {
       "output_type": "stream",
       "stream": "stdout",
       "text": [
        "In case 1,Work done = 166947 Btu/mole C\n",
        "\n",
        " In case 2,Work done = 169557 Btu/mole C\n",
        "\n",
        " In case 3,Work done = 176236 Btu/mole C\n",
        "\n",
        " In case 4,Work done = 0.24  Btu/mole C\n"
       ]
      }
     ],
     "prompt_number": 5
    }
   ],
   "metadata": {}
  }
 ]
}