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   "cell_type": "markdown",
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   "source": [
    "# Exercice 3-10 from Borman\n",
    "\n",
    "Consider the reaction of carbon with stoichiometric air to produce $CO_2$, $CO$, and $O_2$ at 2200 K and 2 atm pressure. \n",
    "\n",
    "How much $CO$ exists when the products are in equilibrium at 2200 K due to the dissociation of $CO_2$?"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Create gas phase object"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "       temperature           0.001  K\n",
      "          pressure      0.00412448  Pa\n",
      "           density           0.001  kg/m^3\n",
      "  mean mol. weight         2.01588  amu\n",
      "\n",
      "                          1 kg            1 kmol\n",
      "                       -----------      ------------\n",
      "          enthalpy      -3.786e+06       -7.632e+06     J\n",
      "   internal energy      -3.786e+06       -7.632e+06     J\n",
      "           entropy          6210.9        1.252e+04     J/K\n",
      "    Gibbs function      -3.786e+06       -7.632e+06     J\n",
      " heat capacity c_p          9669.2        1.949e+04     J/K\n",
      " heat capacity c_v          5544.7        1.118e+04     J/K\n",
      "\n",
      "                           X                 Y          Chem. Pot. / RT\n",
      "                     -------------     ------------     ------------\n",
      "                H2              1                1          -917934\n",
      "     [   +4 minor]              0                0\n",
      "\n"
     ]
    }
   ],
   "source": [
    "import cantera as ct\n",
    "\n",
    "# Get all of the Species objects defined in the GRI 3.0 mechanism\n",
    "species = {}\n",
    "for S in ct.Species.listFromFile('gri30.cti'):\n",
    "    species[S.name] = S\n",
    "\n",
    "# Create an IdealGas object with selected species\n",
    "complete_species = []\n",
    "for Sname in (str.split(' H2 O2 N2 CO2 CO ')):\n",
    "    complete_species.append(species[Sname])\n",
    "\n",
    "cair = ct.Solution(thermo='IdealGas', species=complete_species)\n",
    "\n",
    "cair()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Set Initial Condtion and Calculate Equilibrium"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "       temperature            2200  K\n",
      "          pressure          202650  Pa\n",
      "           density        0.345633  kg/m^3\n",
      "  mean mol. weight         31.1979  amu\n",
      "\n",
      "                          1 kg            1 kmol\n",
      "                       -----------      ------------\n",
      "          enthalpy     -2.4656e+05       -7.692e+06     J\n",
      "   internal energy     -8.3288e+05       -2.598e+07     J\n",
      "           entropy          8543.1        2.665e+05     J/K\n",
      "    Gibbs function     -1.9041e+07       -5.941e+08     J\n",
      " heat capacity c_p          1319.4        4.116e+04     J/K\n",
      " heat capacity c_v          1052.9        3.285e+04     J/K\n",
      "\n",
      "                           X                 Y          Chem. Pot. / RT\n",
      "                     -------------     ------------     ------------\n",
      "                O2     0.00561358       0.00575768         -33.5984\n",
      "                N2       0.785482         0.705306         -26.8056\n",
      "               CO2       0.197678         0.278857         -54.6716\n",
      "                CO      0.0112272        0.0100801         -37.8724\n",
      "     [   +1 minor]              0                0\n",
      "\n"
     ]
    }
   ],
   "source": [
    "cair.X = 'N2:3.76, CO2:1.0'\n",
    "cair.TP = (2200, ct.one_atm*2)\n",
    "cair.equilibrate('TP')\n",
    "cair()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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