{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Physical Properties"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "Gf = dict()\n",
    "Gf['CO','g'] = -137300\n",
    "Gf['CO2','g'] = -394400\n",
    "Gf['O2','g'] = 0\n",
    "\n",
    "Hf = dict()\n",
    "Hf['CO','g'] = -110600\n",
    "Hf['CO2','g'] = -393500\n",
    "Hf['O2','g'] = 0"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "OrderedDict([(('O2', 'g'), 0), (('CO', 'g'), -110600), (('CO2', 'g'), -393500)])"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from collections import OrderedDict\n",
    "\n",
    "OrderedDict(Hf)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Reaction Stoichiometry"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "rxn = dict()\n",
    "rxn[('CO','g')] = -1\n",
    "rxn[('O2','g')] = -0.5\n",
    "rxn[('CO2','g')] = 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def Hrxn(rxn):\n",
    "    Hr = 0;\n",
    "    for s in rxn.keys():\n",
    "        Hr += rxn[s]*Hf[s]\n",
    "    return Hr\n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-282900.0"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Hrxn(rxn)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def Grxn(rxn):\n",
    "    Gr = 0;\n",
    "    for s in rxn.keys():\n",
    "        Gr += rxn[s]*Gf[s]\n",
    "    return Gr"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-257100.0"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Grxn(rxn)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def lnK(rxn):\n",
    "    "
   ]
  }
 ],
 "metadata": {},
 "nbformat": 4,
 "nbformat_minor": 0
}