236 lines
7.5 KiB
Text
236 lines
7.5 KiB
Text
{
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"cells": [
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"# Exercice 3-11 from Borman\n",
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"\n",
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"## Two phase equilibrium\n",
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"\n",
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"Solid carbon reacts with steam at 1000 K and 1 atm to produce carbon monoxide and hydrogen.\n",
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"\n",
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"Find the equilibrium composition if the initial $C/O$ atom mole ratio is $1/1$ and the initial $C/H$ atom mole ratio $1/1$.\n",
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"\n",
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"The reaction is $C_{(s)} + H_2O = CO + H_2$ ."
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## Create multiphase mixture object"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 1,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"************ Phase ************\n",
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"Moles: 1.0\n",
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"\n",
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" temperature 300 K\n",
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" pressure 101325 Pa\n",
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" density 0.0818891 kg/m^3\n",
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" mean mol. weight 2.01588 amu\n",
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"\n",
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" 1 kg 1 kmol\n",
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" ----------- ------------\n",
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" enthalpy 26470 5.336e+04 J\n",
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" internal energy -1.2109e+06 -2.441e+06 J\n",
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" entropy 64914 1.309e+05 J/K\n",
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" Gibbs function -1.9448e+07 -3.92e+07 J\n",
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" heat capacity c_p 14312 2.885e+04 J/K\n",
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" heat capacity c_v 10187 2.054e+04 J/K\n",
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"\n",
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" X Y Chem. Pot. / RT\n",
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" ------------- ------------ ------------\n",
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" H2 1 1 -15.7173\n",
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" [ +2 minor] 0 0\n",
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"\n",
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"************ Phase graphite ************\n",
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"Moles: 0.0\n",
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"\n",
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" graphite:\n",
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"\n",
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" temperature 300 K\n",
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" pressure 101325 Pa\n",
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" density 2160 kg/m^3\n",
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" mean mol. weight 12.011 amu\n",
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"\n",
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" 1 kg 1 kmol\n",
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" ----------- ------------\n",
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" enthalpy 1318.4 1.584e+04 J\n",
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" internal energy 1271.5 1.527e+04 J\n",
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" entropy 481.8 5787 J/K\n",
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" Gibbs function -1.4322e+05 -1.72e+06 J\n",
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" heat capacity c_p 715.32 8592 J/K\n",
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" heat capacity c_v 715.32 8592 J/K\n",
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"\n",
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" X Y Chem. Pot. / RT\n",
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" ------------- ------------ ------------\n",
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" C(gr) 1 1 -0.689657\n",
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"\n"
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]
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}
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],
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"source": [
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"import cantera as ct\n",
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"\n",
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"# Get all of the Species objects defined in the GRI 3.0 mechanism\n",
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"species = {S.name: S for S in ct.Species.listFromFile('gri30.cti')}\n",
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"\n",
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"# Create an IdealGas object with selected species\n",
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"complete_species = [species[S] for S in (str.split(' H2 CO H2O '))]\n",
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"steam = ct.Solution(thermo='IdealGas', species=complete_species)\n",
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"\n",
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"carbon = ct.Solution('graphite.cti')\n",
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"\n",
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"mix = ct.Mixture([steam, carbon])\n",
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"\n",
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"mix()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## Set Initial Condtion and Calculate Equilibrium"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"************ Phase ************\n",
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"Moles: 2.797483219797536\n",
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"\n",
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" temperature 1000 K\n",
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" pressure 101325 Pa\n",
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" density 0.242227 kg/m^3\n",
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" mean mol. weight 19.8765 amu\n",
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"\n",
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" 1 kg 1 kmol\n",
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" ----------- ------------\n",
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" enthalpy -3.3612e+06 -6.681e+07 J\n",
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" internal energy -3.7795e+06 -7.512e+07 J\n",
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" entropy 11162 2.219e+05 J/K\n",
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" Gibbs function -1.4523e+07 -2.887e+08 J\n",
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" heat capacity c_p 1655 3.29e+04 J/K\n",
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" heat capacity c_v 1236.7 2.458e+04 J/K\n",
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"\n",
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" X Y Chem. Pot. / RT\n",
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" ------------- ------------ ------------\n",
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" H2 0.285072 0.028912 -18.7606\n",
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" CO 0.642536 0.905474 -39.3365\n",
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" H2O 0.0723925 0.0656136 -56.5747\n",
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"\n",
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"************ Phase graphite ************\n",
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"Moles: 0.202516780202464\n",
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"\n",
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" graphite:\n",
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"\n",
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" temperature 1000 K\n",
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" pressure 101325 Pa\n",
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" density 2160 kg/m^3\n",
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" mean mol. weight 12.011 amu\n",
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"\n",
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" 1 kg 1 kmol\n",
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" ----------- ------------\n",
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" enthalpy 9.8191e+05 1.179e+07 J\n",
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" internal energy 9.8186e+05 1.179e+07 J\n",
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" entropy 2035.8 2.445e+04 J/K\n",
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" Gibbs function -1.0538e+06 -1.266e+07 J\n",
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" heat capacity c_p 1800.4 2.162e+04 J/K\n",
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" heat capacity c_v 1800.4 2.162e+04 J/K\n",
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"\n",
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" X Y Chem. Pot. / RT\n",
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" ------------- ------------ ------------\n",
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" C(gr) 1 1 -1.52238\n",
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"\n"
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]
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}
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],
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"source": [
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"mix.species_moles = 'CO:2.0, H2:1.0'\n",
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"mix.T = 1000\n",
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"mix.P = ct.one_atm\n",
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"mix.equilibrate('TP')\n",
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"\n",
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"mix()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## Calculate Mole Fractions"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 3,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"['H2', 'CO', 'H2O', 'C(gr)']\n"
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]
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}
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],
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"source": [
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"print (mix.species_names)"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 4,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"[0.26582774 0.59916107 0.06750559 0.06750559]\n"
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]
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}
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],
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"source": [
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"print (mix.species_moles / mix.species_moles.sum())"
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]
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3",
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"language": "python",
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"name": "python3"
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},
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"language_info": {
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"codemirror_mode": {
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"name": "ipython",
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"version": 3
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},
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"file_extension": ".py",
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"mimetype": "text/x-python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.7.3"
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}
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},
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"nbformat": 4,
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"nbformat_minor": 2
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}
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