mirror of
https://github.com/Cantera/cantera.git
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Add Matlab examples to sphinx-gallery
This commit is contained in:
Ray Speth
Ray Speth
+3
-1
@@ -121,12 +121,14 @@ if localenv['sphinx_docs']:
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copy_sphinx = localenv.RecursiveInstall("#build/doc/sphinx", "sphinx")
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copy_python_samples = localenv.RecursiveInstall("#build/doc/samples/python",
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"#samples/python")
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copy_matlab_ex_samples = localenv.RecursiveInstall(
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"#build/doc/samples/matlab_experimental", "#samples/matlab_experimental")
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sphinxdocs = build(localenv.Command('build/doc/sphinx/html/index.html',
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'sphinx/conf.py', build_sphinx))
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env.Alias('sphinx', sphinxdocs)
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env.Depends(sphinxdocs, copy_sphinx)
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env.Depends(sphinxdocs, copy_python_samples)
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env.Depends(sphinxdocs, [copy_python_samples, copy_matlab_ex_samples])
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env.Depends(sphinxdocs, env['python_module'])
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# Gather all C++ samples into a single directory so they can be presented a single
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+6
-2
@@ -49,20 +49,23 @@ extensions = [
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sphinx_gallery_conf = {
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'filename_pattern': '\.py',
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'example_extensions': {'.py', '.cpp', '.h', '.c', '.f', '.f90'},
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"filetype_parsers": {'.h': 'C++'},
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'example_extensions': {'.py', '.cpp', '.h', '.c', '.f', '.f90', '.m'},
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"filetype_parsers": {'.h': 'C++', '.m': 'Matlab'},
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'ignore_pattern': r'(__.*__\.py|test_examples\.m)',
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'image_srcset': ["2x"],
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'examples_dirs': [
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'../samples/python/',
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'../samples/cxx/',
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'../samples/clib/',
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'../samples/fortran/',
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'../samples/matlab_experimental/',
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],
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'gallery_dirs': [
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'examples/python',
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'examples/cxx',
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'examples/clib',
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'examples/fortran',
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'examples/matlab_experimental',
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],
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'reference_url': {
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'cantera': None, # 'None' means the locally-documented module
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@@ -125,6 +128,7 @@ tags_badge_colors = {
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"Python": "secondary",
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"C++": "secondary",
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"C": "secondary",
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"Matlab": "secondary",
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"Fortran 77": "secondary",
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"Fortran 90": "secondary",
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}
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@@ -18,6 +18,7 @@ format.
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examples/python/index
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examples/cxx/index
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examples/clib/index
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examples/matlab_experimental/index
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examples/fortran/index
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_tags/tagsindex
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@@ -1,10 +1,14 @@
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function F = PFR_Solver(x, soln_vector, gas, mdot, A_in, dAdx, k)
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%% Plug flow reactor governing equations
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%
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% This function defines the spatial derivatives for an ideal gas plug-flow
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% reactor, where the cross-sectional area and pressure are allowed to vary,
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% axially. The model is set up by the example file 'PFR.m',
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% which points the integrator to this function. The integrator integrates the
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% derivatives spatially, to solve the density, temperature, and species mass
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% fraction profiles as a function of distance x.
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% reactor, where the cross-sectional area and pressure are allowed to vary
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% axially.
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%
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% The model is set up by the example file :doc:`plug_flow_reactor.m
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% <plug_flow_reactor>`, which points the integrator to this function. The integrator
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% integrates the derivatives spatially, to solve the density, temperature, and
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% species mass fraction profiles as a function of distance x.
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rho = soln_vector(1);
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T = soln_vector(2);
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@@ -0,0 +1,5 @@
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Matlab (experimental) Examples
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==============================
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These examples are written for use with the "experimental" version of the Cantera Matlab
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toolbox that was introduced with Cantera 3.0.
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@@ -1,4 +1,4 @@
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%% CATCOMB - Catalytic combustion of a stagnation flow on a platinum surface
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%% Catalytic combustion of a stagnation flow on a platinum surface
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%
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% This script solves a catalytic combustion problem. A stagnation flow
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% is set up, with a gas inlet 10 cm from a platinum surface at 900
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@@ -10,7 +10,7 @@
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% The catalytic combustion mechanism is from Deutschmann et al., 26th
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% Symp. (Intl.) on Combustion,1996 pp. 1747-1754
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%
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% Keywords: combustion, catalysis, 1D flow, surface chemistry
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% .. tags:: Matlab, combustion, catalysis, 1D flow, surface chemistry
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%% Initialization
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@@ -29,6 +29,7 @@ tsurf = 900.0; % surface temperature
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mdot = 0.06; % kg/m^2/s
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transport = 'mixture-averaged'; % transport model
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%%
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% Solve first for a hydrogen/air case for use as the initial estimate for
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% the methane/air case.
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@@ -45,19 +46,17 @@ initial_grid = [0.0, 0.02, 0.04, 0.06, 0.08, 0.1]; % m
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tol_ss = {1.0e-8 1.0e-14}; % {rtol atol} for steady-state problem
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tol_ts = {1.0e-4 1.0e-9}; % {rtol atol} for time stepping
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loglevel = 1; % amount of diagnostic output
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% (0 to 5)
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loglevel = 1; % amount of diagnostic output (0 to 5)
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refine_grid = 1; % 1 to enable refinement, 0 to
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% disable
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refine_grid = 1; % 1 to enable refinement, 0 to disable
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%% Create the gas object
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%
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% This object will be used to evaluate all thermodynamic, kinetic,
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% and transport properties
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%
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% The gas phase will be taken from the definition of phase 'gas' in
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% input file 'ptcombust.yaml', which is a stripped-down version of
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% The gas phase will be taken from the definition of phase ``gas`` in
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% input file ``ptcombust.yaml``, which is a stripped-down version of
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% GRI-Mech 3.0.
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gas = Solution('ptcombust.yaml', 'gas', transport);
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@@ -66,20 +65,22 @@ gas.TPX = {tinlet, p, comp1};
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%% Create the interface object
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%
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% This object will be used to evaluate all surface chemical production
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% rates. It will be created from the interface definition 'Pt_surf'
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% in input file 'ptcombust.yaml,' which implements the reaction
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% rates. It will be created from the interface definition ``Pt_surf``
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% in input file ``ptcombust.yaml``, which implements the reaction
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% mechanism of Deutschmann et al., 1995 for catalytic combustion on
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% platinum.
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surf_phase = Interface('ptcombust.yaml', 'Pt_surf', gas);
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surf_phase.TP = {tsurf, surf_phase.P};
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% integrate the coverage equations in time for 1 s, holding the gas
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%%
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% Integrate the coverage equations in time for 1 s, holding the gas
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% composition fixed to generate a good starting estimate for the
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% coverages.
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surf_phase.advanceCoverages(1.0);
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%%
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% The two objects we just created are independent of the problem
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% type -- they are useful in zero-D simulations, 1-D simulations,
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% etc. Now we turn to creating the objects that are specifically
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@@ -90,7 +91,7 @@ surf_phase.advanceCoverages(1.0);
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%
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% The flow object is responsible for evaluating the 1D governing
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% equations for the flow. We will initialize it with the gas
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% object, and assign it the name 'flow'.
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% object, and assign it the name ``flow``.
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flow = AxisymmetricFlow(gas, 'flow');
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@@ -100,11 +101,11 @@ flow.setupGrid(initial_grid);
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flow.setSteadyTolerances('default', tol_ss{:});
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flow.setTransientTolerances('default', tol_ts{:});
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%% create the inlet
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%% Create the inlet
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%
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% The temperature, mass flux, and composition (relative molar) may be
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% specified. This object provides the inlet boundary conditions for
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% the flow equations.
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% The temperature, mass flux, and composition (relative molar) may be
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% specified. This object provides the inlet boundary conditions for
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% the flow equations.
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inlt = Inlet(gas, 'inlet');
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@@ -113,10 +114,10 @@ inlt.T = tinlet;
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inlt.massFlux = mdot;
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inlt.setMoleFractions(comp1);
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%% create the surface
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%% Create the surface
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%
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% This object provides the surface boundary conditions for the flow
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% equations. By supplying object surface_phase as an argument, the
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% equations. By supplying object ``surface_phase`` as an argument, the
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% coverage equations for its surface species will be added to the
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% equation set, and used to compute the surface production rates of
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% the gas-phase species.
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@@ -124,7 +125,7 @@ inlt.setMoleFractions(comp1);
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surf = ReactingSurface(surf_phase, 'surface');
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surf.T = tsurf;
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%% create the stack
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%% Create the stack
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%
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% Once the component parts have been created, they can be assembled
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% to create the 1D simulation.
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@@ -148,21 +149,23 @@ stack.setTimeStep(1.0e-5, [1, 3, 6, 12]);
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stack.setMaxJacAge(4, 5);
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%% Solution
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% start with the energy equation on
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% Start with the energy equation on
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flow.energyEnabled = true;
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% disable the surface coverage equations, and turn off all gas and
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%%
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% Disable the surface coverage equations, and turn off all gas and
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% surface chemistry
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surf.coverageEnabled = false;
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surf_phase.setMultiplier(0.0);
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gas.setMultiplier(0.0);
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% solve the problem, refining the grid if needed
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%%
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% Solve the problem, refining the grid if needed
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stack.solve(1, refine_grid);
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% now turn on the surface coverage equations, and turn the
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%%
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% Now turn on the surface coverage equations, and turn the
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% chemistry on slowly
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surf.coverageEnabled = true;
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@@ -174,14 +177,17 @@ for iter = 1:6
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stack.solve(1, refine_grid);
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end
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%%
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% At this point, we should have the solution for the hydrogen/air
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% problem. Now switch the inlet to the methane/air composition.
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inlt.setMoleFractions(comp2);
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% set more stringent grid refinement criteria
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%%
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% Set more stringent grid refinement criteria
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stack.setRefineCriteria(2, 100.0, 0.15, 0.2);
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% solve the problem for the final time
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%%
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% Solve the problem for the final time
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stack.solve(loglevel, refine_grid);
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%% Show statistics
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@@ -1,9 +1,9 @@
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function dydt = conhp(t, y, gas, mw)
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% CONHP - ODE system for a constant-pressure, adiabatic reactor.
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%% ODE system for a constant-pressure, adiabatic reactor
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%
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% Function CONHP evaluates the system of ordinary differential equations
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% Function ``CONHP`` evaluates the system of ordinary differential equations
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% for an adiabatic, constant-pressure, zero-dimensional reactor.
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% It assumes that the 'gas' object represents a reacting ideal gas mixture.
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% It assumes that the ``gas`` object represents a reacting ideal gas mixture.
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% Set the state of the gas, based on the current solution vector.
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gas.Y = y(2:end);
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@@ -1,9 +1,9 @@
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function dydt = conuv(t, y, gas, mw)
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% CONUV ODE system for a constant-volume, adiabatic reactor.
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%% ODE system for a constant-volume, adiabatic reactor
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%
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% Function CONUV evaluates the system of ordinary differential
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% Function ``CONUV`` evaluates the system of ordinary differential
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% equations for an adiabatic, constant-volume, zero-dimensional reactor.
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% It assumes that the 'gas' object represents a reacting ideal gas mixture.
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% It assumes that the ``gas`` object represents a reacting ideal gas mixture.
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% Set the state of the gas, based on the current solution vector.
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gas.Y = y(2:end);
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@@ -1,16 +1,18 @@
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%% DIAMOND_CVD - A CVD example simulating growth of a diamond film
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%% Simulating growth of a diamond film by CVD
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%
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% This example computes the growth rate of a diamond film according to a
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% simplified version of a particular published growth mechanism (see file
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% diamond.yaml for details). Only the surface coverage equations are solved
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% ``diamond.yaml`` for details). Only the surface coverage equations are solved
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% here; the gas composition is fixed. (For an example of coupled gas-phase
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% and surface, see catalytic_combustion.py.) Atomic hydrogen plays an
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% important role in diamond CVD, and this example computes the growth rate
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% and surface coverages as a function of [H] at the surface for
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% and surface, see :doc:`catcomb.m <catcomb>`).
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%
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% Atomic hydrogen plays an important role in diamond CVD, and this example computes the
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% growth rate and surface coverages as a function of [H] at the surface for
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% fixed temperature and [CH3].
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%
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% Requires: cantera >= 2.6.0, pandas >= 0.25.0, matplotlib >= 2.0
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% Keywords: surface chemistry, kinetics
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%
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% .. tags:: Matlab, surface chemistry, kinetics
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%% Initialization
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@@ -1,10 +1,11 @@
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%% DIFF_FLAME - An opposed-flow diffusion flame.
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%% Opposed-flow diffusion flame
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%
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% This example uses the CounterFlowDiffusionFlame function to solve an
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% This example uses the ``CounterFlowDiffusionFlame`` function to solve an
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% opposed-flow diffusion flame for Ethane in Air. This example is the same
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% as the diffusion_flame.py example without radiation.
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% as the :doc:`diffusion_flame.py <../python/onedim/diffusion_flame>`
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% example without radiation.
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%
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% Keywords: combustion, 1D flow, diffusion flame, plotting
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% .. tags:: Matlab, combustion, 1D flow, diffusion flame, plotting
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%% Initialization
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@@ -49,7 +50,7 @@ ox.TPX = {tin, p, oxcomp};
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%% Set-up the flow object
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%
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% For this problem, the AxisymmetricFlow model is needed. Set the state of
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% For this problem, the ``AxisymmetricFlow`` model is needed. Set the state of
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% the flow as the fuel gas object. This is arbitrary and is only used to
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% initialize the flow object. Set the grid to the initial grid defined
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% prior, same for the tolerances.
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@@ -76,11 +77,11 @@ inlet_f.T = tin;
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inlet_f.massFlux = mdot_f;
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inlet_f.setMoleFractions(fuelcomp);
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%% Create the flame object.
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%% Create the flame object
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%
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% Once the inlets have been created, they can be assembled
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% to create the flame object. Function CounterFlorDiffusionFlame
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% (in Cantera/1D) sets up the initial guess for the solution using a
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% to create the flame object. Function ``CounterFlorDiffusionFlame``
|
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% (in ``Cantera/1D``) sets up the initial guess for the solution using a
|
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% Burke-Schumann flame. The input parameters are: fuel inlet object, flow
|
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% object, oxidizer inlet object, fuel gas object, oxidizer gas object, and
|
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% the name of the oxidizer species as in character format.
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@@ -94,28 +95,28 @@ fl = CounterFlowDiffusionFlame(inlet_f, f, inlet_o, fuel, ox, 'O2');
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fl.solve(loglevel, 0);
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%% Enable the energy equation.
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||||
%% Enable the energy equation
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||||
%
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% The energy equation will now be solved to compute the temperature profile.
|
||||
% We also tighten the grid refinement criteria to get an accurate final
|
||||
% solution. The explanation of the setRefineCriteria function is located
|
||||
% solution. The explanation of the ``setRefineCriteria`` function is located
|
||||
% on cantera.org in the Matlab User's Guide and can be accessed by
|
||||
% help setRefineCriteria
|
||||
% ``help setRefineCriteria``.
|
||||
|
||||
f.energyEnabled = true;
|
||||
fl.setRefineCriteria(2, 200.0, 0.1, 0.2);
|
||||
fl.solve(loglevel, refine_grid);
|
||||
|
||||
%% Show statistics of solution and elapsed time.
|
||||
%% Show statistics of solution and elapsed time
|
||||
|
||||
fl.writeStats;
|
||||
elapsed = cputime - runtime;
|
||||
e = sprintf('Elapsed CPU time: %10.4g', elapsed);
|
||||
disp(e);
|
||||
|
||||
%% Plot results
|
||||
% Make a single plot showing temperature and mass fraction of select
|
||||
% species along axial distance from fuel inlet to air inlet.
|
||||
%
|
||||
|
||||
z = fl.grid('flow'); % Get grid points of flow
|
||||
spec = fuel.speciesNames; % Get species names in gas
|
||||
|
||||
@@ -1,10 +1,10 @@
|
||||
function equil(g)
|
||||
%% EQUIL - A chemical equilibrium example.
|
||||
%% Methane/air chemical equilibrium
|
||||
%
|
||||
% This example computes the adiabatic flame temperature and equilibrium
|
||||
% composition for a methane/air mixture as a function of equivalence ratio.
|
||||
%
|
||||
% Keywords: combustion, equilibrium, plotting
|
||||
% .. tags:: Matlab, combustion, equilibrium, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,6 +1,8 @@
|
||||
function f = flame(gas, left, flow, right)
|
||||
% FLAME - create a flame object.
|
||||
%% Utility for flame setup
|
||||
%
|
||||
% Used by the :doc:`flame1.m <flame1>` and :doc:`flame2.m <flame2>` examples.
|
||||
|
||||
% Check input parameters
|
||||
if nargin ~= 4
|
||||
error('wrong number of input arguments.');
|
||||
|
||||
@@ -1,9 +1,9 @@
|
||||
%% FLAME1 - A burner-stabilized flat flame
|
||||
%% Burner-stabilized flat flame
|
||||
%
|
||||
% This script simulates a burner-stablized lean hydrogen-oxygen flame
|
||||
% at low pressure.
|
||||
%
|
||||
% Keywords: combustion, 1D flow, burner-stabilized flame, plotting
|
||||
% .. tags:: Matlab, combustion, 1D flow, burner-stabilized flame, plotting
|
||||
|
||||
%% Initialization
|
||||
|
||||
@@ -57,7 +57,7 @@ f.setTransientTolerances('default', tol_ts{:});
|
||||
|
||||
%% Create the burner
|
||||
%
|
||||
% The burner is an Inlet object. The temperature, mass flux,
|
||||
% The burner is an ``Inlet`` object. The temperature, mass flux,
|
||||
% and composition (relative molar) may be specified.
|
||||
burner = Inlet(gas, 'burner');
|
||||
burner.T = tburner;
|
||||
@@ -67,7 +67,7 @@ burner.setMoleFractions(comp);
|
||||
%% Create the outlet
|
||||
%
|
||||
% The type of flame is determined by the object that terminates
|
||||
% the domain. An Outlet object imposes zero gradient boundary
|
||||
% the domain. An ``Outlet`` object imposes zero gradient boundary
|
||||
% conditions for the temperature and mass fractions, and zero
|
||||
% radial velocity and radial pressure gradient.
|
||||
|
||||
@@ -76,14 +76,15 @@ s = Outlet(gas, 'out');
|
||||
%% Create the flame object
|
||||
%
|
||||
% Once the component parts have been created, they can be assembled
|
||||
% to create the flame object.
|
||||
%
|
||||
% to create the flame object (see :doc:`flame.m <flame>`).
|
||||
fl = flame(gas, burner, f, s);
|
||||
fl.setMaxJacAge(max_jacobian_age(1), max_jacobian_age(2));
|
||||
|
||||
%%
|
||||
% if the starting solution is to be read from a previously-saved
|
||||
% solution, uncomment this line and edit the file name and solution id.
|
||||
%restore(fl,'h2flame2.xml', 'energy')
|
||||
|
||||
%restore(fl,'h2flame2.yaml', 'energy')
|
||||
|
||||
fl.solve(loglevel, refine_grid);
|
||||
|
||||
|
||||
@@ -1,8 +1,8 @@
|
||||
%% FLAME2 - An axisymmetric stagnation-point non-premixed flame
|
||||
%% Axisymmetric stagnation-point non-premixed flame
|
||||
%
|
||||
% This script simulates a stagnation-point ethane-air flame.
|
||||
%
|
||||
% Keywords: combustion, 1D flow, strained flame, diffusion flame, plotting
|
||||
% .. tags:: Matlab, combustion, 1D flow, strained flame, diffusion flame, plotting
|
||||
|
||||
%% Initialization
|
||||
|
||||
@@ -27,8 +27,7 @@ comp2 = 'C2H6:1'; % fuel composition
|
||||
|
||||
initial_grid = 0.02 * [0.0, 0.2, 0.4, 0.6, 0.8, 1.0]; % m
|
||||
|
||||
tol_ss = {1.0e-5, 1.0e-13}; % {rtol atol} for steady-state
|
||||
% problem
|
||||
tol_ss = {1.0e-5, 1.0e-13}; % {rtol atol} for steady-state problem
|
||||
tol_ts = {1.0e-4, 1.0e-13}; % {rtol atol} for time stepping
|
||||
|
||||
loglevel = 1; % amount of diagnostic output (0 to 5)
|
||||
@@ -55,8 +54,8 @@ f.setTransientTolerances('default', tol_ts{:});
|
||||
|
||||
%% Create the air inlet
|
||||
%
|
||||
% The temperature, mass flux, and composition (relative molar) may be
|
||||
% specified.
|
||||
% The temperature, mass flux, and composition (relative molar) may be
|
||||
% specified.
|
||||
|
||||
inlet_o = Inlet(gas, 'air_inlet');
|
||||
inlet_o.T = tin;
|
||||
@@ -77,18 +76,19 @@ inlet_f.setMoleFractions(comp2);
|
||||
|
||||
fl = flame(gas, inlet_o, f, inlet_f);
|
||||
|
||||
%%
|
||||
% if the starting solution is to be read from a previously-saved
|
||||
% solution, uncomment this line and edit the file name and solution id.
|
||||
%restore(fl,'h2flame2.xml', 'energy')
|
||||
|
||||
% solve with fixed temperature profile first
|
||||
%restore(fl,'h2flame2.yaml', 'energy')
|
||||
|
||||
% Solve with fixed temperature profile first
|
||||
fl.solve(loglevel, refine_grid);
|
||||
|
||||
%% Enable the energy equation
|
||||
%
|
||||
% The energy equation will now be solved to compute the
|
||||
% temperature profile. We also tighten the grid refinement
|
||||
% criteria to get an accurate final solution.
|
||||
% The energy equation will now be solved to compute the temperature profile. We also
|
||||
% tighten the grid refinement criteria to get an accurate final solution.
|
||||
|
||||
f.energyEnabled = true;
|
||||
fl.setRefineCriteria(2, 200.0, 0.1, 0.1);
|
||||
|
||||
@@ -1,11 +1,12 @@
|
||||
function plotdata = ignite(g)
|
||||
%% IGNITE Zero-dimensional kinetics: adiabatic, constant pressure.
|
||||
%% Adiabatic, constant pressure reactor
|
||||
%
|
||||
% This example solves the same problem as 'reactor1', but does
|
||||
% it using one of MATLAB's ODE integrators, rather than using the
|
||||
% Cantera Reactor class.
|
||||
% This example solves the same problem as :doc:`reactor1.m <reactor1>`, but does it
|
||||
% using one of MATLAB's ODE integrators, rather than using the Cantera Reactor
|
||||
% class. See :doc:`reactor_ode.m <reactor_ode>` for the implementation of the
|
||||
% governing equations.
|
||||
%
|
||||
% Keywords: combustion, reactor network, ignition delay, plotting
|
||||
% .. tags:: Matlab, combustion, reactor network, ignition delay, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
@@ -37,36 +38,38 @@ function plotdata = ignite(g)
|
||||
|
||||
plotdata = output(out, gas);
|
||||
|
||||
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
|
||||
% the functions below may be defined arbitrarily to set the reactor
|
||||
%% Time-varying boundary conditions
|
||||
%
|
||||
% The functions below may be defined arbitrarily to set the reactor
|
||||
% boundary conditions - the rate of change of volume, the heat
|
||||
% flux, and the area.
|
||||
|
||||
%
|
||||
% Rate of change of volume. Any arbitrary function may be implemented.
|
||||
%
|
||||
% Input arguments:
|
||||
% t time
|
||||
% vol volume
|
||||
% gas ideal gas object
|
||||
|
||||
% :t: time
|
||||
% :vol: volume
|
||||
% :gas: ideal gas object
|
||||
function v = vdot(t, vol, gas)
|
||||
%v = 0.0; %uncomment for constant volume
|
||||
v = 1.e11 * (gas.P - 101325.0); % holds pressure very
|
||||
% close to 1 atm
|
||||
end
|
||||
|
||||
%%
|
||||
% heat flux (W/m^2).
|
||||
function q = heatflux(t, gas)
|
||||
q = 0.0; % adiabatic
|
||||
end
|
||||
|
||||
%%
|
||||
% surface area (m^2). Used only to compute heat transfer.
|
||||
function a = area(t, vol)
|
||||
a = 1.0;
|
||||
end
|
||||
|
||||
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
|
||||
|
||||
% Since the solution variables used by the 'reactor' function are
|
||||
%%
|
||||
% Since the solution variables used by the ``reactor`` function are
|
||||
% not necessarily those desired for output, this function is called
|
||||
% after the integration is complete to generate the desired
|
||||
% outputs.
|
||||
|
||||
@@ -1,8 +1,10 @@
|
||||
function ignite_hp(gas)
|
||||
% IGNITE_HP Solves the same ignition problem as 'ignite', but uses
|
||||
% function conhp instead of reactor.
|
||||
%% Constant pressure ignition with user-specified equations
|
||||
%
|
||||
% Keywords: combustion, user-defined model, ignition delay, plotting
|
||||
% Solves the same ignition problem as :doc:`reactor1.m <reactor1>`, but uses
|
||||
% function :doc:`conhp.m <conhp>` to implement the governing equations.
|
||||
%
|
||||
% .. tags:: Matlab, combustion, user-defined model, ignition delay, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,8 +1,10 @@
|
||||
function ignite_uv(gas)
|
||||
% IGNITE_UV Solves the same ignition problem as 'ignite2', except
|
||||
% function conuv is used instead of reactor.
|
||||
%% Constant volume ignition with user-specified equations
|
||||
%
|
||||
% Keywords: combustion, user-defined model, ignition delay, plotting
|
||||
% Solves the same ignition problem as :doc:`reactor2.m <reactor2>`, except using
|
||||
% function :doc:`conuv.m <conuv>` to implement the governing equations.
|
||||
%
|
||||
% .. tags:: Matlab, combustion, user-defined model, ignition delay, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,10 +1,10 @@
|
||||
function isentropic(g)
|
||||
%% ISENTROPIC - isentropic, adiabatic flow example
|
||||
%% Isentropic, adiabatic flow
|
||||
%
|
||||
% In this example, the area ratio vs. Mach number curve is computed for a
|
||||
% hydrogen/nitrogen gas mixture.
|
||||
%
|
||||
% Keywords: thermodynamics, compressible flow, plotting
|
||||
% .. tags:: Matlab, thermodynamics, compressible flow, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,25 +1,26 @@
|
||||
%% LITHIUM_ION_BATTERY
|
||||
%% Lithium-ion battery
|
||||
%
|
||||
% This example file calculates the cell voltage of a lithium-ion battery
|
||||
% at given temperature, pressure, current, and range of state of charge (SOC).
|
||||
%
|
||||
% The thermodynamics are based on a graphite anode and a LiCoO2 cathode,
|
||||
% modeled using the 'BinarySolutionTabulatedThermo' class.
|
||||
% modeled using the :ct:`BinarySolutionTabulatedThermo` class.
|
||||
% Further required cell parameters are the electrolyte ionic resistance,
|
||||
% the stoichiometry ranges of the active materials (electrode balancing),
|
||||
% and the surface area of the active materials.
|
||||
%
|
||||
% The functionality of this example is presented in greater detail in the
|
||||
% reference (which also describes the derivation of the
|
||||
% BinarySolutionTabulatedThermo class):
|
||||
% :ct:`BinarySolutionTabulatedThermo` class).
|
||||
%
|
||||
% Reference:
|
||||
% M. Mayur, S. C. DeCaluwe, B. L. Kee, W. G. Bessler, “Modeling and simulation
|
||||
% of the thermodynamics of lithium-ion battery intercalation materials in the
|
||||
% open-source software Cantera,” Electrochim. Acta 323, 134797 (2019),
|
||||
% https://doi.org/10.1016/j.electacta.2019.134797
|
||||
%
|
||||
% Keywords: surface chemistry, kinetics, electrochemistry, battery, plotting
|
||||
% M. Mayur, S. C. DeCaluwe, B. L. Kee, W. G. Bessler, “Modeling and simulation
|
||||
% of the thermodynamics of lithium-ion battery intercalation materials in the
|
||||
% open-source software Cantera,” Electrochim. Acta 323, 134797 (2019),
|
||||
% https://doi.org/10.1016/j.electacta.2019.134797
|
||||
%
|
||||
% .. tags:: Matlab, surface chemistry, kinetics, electrochemistry, battery, plotting
|
||||
|
||||
%% Initialization
|
||||
|
||||
@@ -43,6 +44,7 @@ R_elyt = 0.0384; % [Ohm] Electrolyte resistance
|
||||
S_ca = 1.1167; % [m^2] Cathode total active material surface area
|
||||
S_an = 0.7824; % [m^2] Anode total active material surface area
|
||||
|
||||
%%
|
||||
% Electrode balancing: The "balancing" of the electrodes relates the chemical
|
||||
% composition (lithium mole fraction in the active materials) to the macroscopic
|
||||
% cell-level state of charge.
|
||||
|
||||
@@ -1,23 +1,28 @@
|
||||
function periodic_cstr
|
||||
%% PERIODIC_CSTR - A CSTR with steady inputs but periodic interior state.
|
||||
%% Continuously stirred tank reactor with periodic behavior
|
||||
%
|
||||
% This example illustrates a continuously stirred tank reactor (CSTR) with
|
||||
% steady inputs but periodic interior state.
|
||||
%
|
||||
% A stoichiometric hydrogen/oxygen mixture is introduced and reacts to
|
||||
% produce water. But since water has a large efficiency as a third body
|
||||
% in the chain termination reaction
|
||||
%
|
||||
% H + O2 + M = HO2 + M
|
||||
% .. math::
|
||||
%
|
||||
% \mathrm{ H + O_2 + M \rightleftharpoons HO_2 + M }
|
||||
%
|
||||
% as soon as a significant amount of water is produced the reaction stops.
|
||||
% After enough time has passed that the water is exhausted from the reactor,
|
||||
% the mixture explodes again and the process repeats. This explanation can be
|
||||
% verified by decreasing the rate for reaction 7 in file 'h2o2.yaml' and
|
||||
% verified by decreasing the rate for reaction 7 in file ``h2o2.yaml`` and
|
||||
% re-running the example.
|
||||
%
|
||||
% Acknowledgments: The idea for this example and an estimate of the
|
||||
% *Acknowledgments*: The idea for this example and an estimate of the
|
||||
% conditions needed to see the oscillations came from Bob Kee,
|
||||
% Colorado School of Mines
|
||||
% Colorado School of Mines.
|
||||
%
|
||||
% Keywords: combustion, reactor network, well-stirred reactor, plotting
|
||||
% .. tags:: Matlab, combustion, reactor network, well-stirred reactor, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,15 +1,14 @@
|
||||
function plotSolution(s, domain, component)
|
||||
% Plot a specified solution component. ::
|
||||
%% Utility for plotting a specific solution component
|
||||
%
|
||||
% >> plotSolution(s, domain, component)
|
||||
%
|
||||
% :param s:
|
||||
% :s:
|
||||
% Instance of class :mat:class:`Sim1D`.
|
||||
% :param domain:
|
||||
% Name of domain from which the component should be
|
||||
% retrieved.
|
||||
% :param component:
|
||||
% Name of the component to be plotted.
|
||||
% :domain:
|
||||
% Name of domain from which the component should be retrieved.
|
||||
% :component:
|
||||
% Name of the component to be plotted
|
||||
|
||||
n = s.stackIndex(domain);
|
||||
d = s.domains{n};
|
||||
|
||||
@@ -1,4 +1,4 @@
|
||||
%% Plug_Flow_Reactor (PFR) - to solve PFR equations for reactors
|
||||
%% Nozzle with compressible flow
|
||||
%
|
||||
% This code snippet is to model a constant area and varying area
|
||||
% (converging and diverging) nozzle as Plug Flow Reactor with given
|
||||
@@ -8,19 +8,20 @@
|
||||
%
|
||||
% The reactor assumes that the flow follows the Ideal Gas Law.
|
||||
%
|
||||
% The governing equations used in this code can be referenced at:
|
||||
% *S.R Turns, An Introduction to Combustion - Concepts and Applications,
|
||||
% McGraw Hill Education, India, 2012, 206-210.*
|
||||
% The governing equations used in this code (see :doc:`PFR_solver.m
|
||||
% <PFR_solver>`) can be referenced at:
|
||||
%
|
||||
% *S.R Turns, An Introduction to Combustion - Concepts and Applications,
|
||||
% McGraw Hill Education, India, 2012, 206-210.*
|
||||
%
|
||||
% The current example is written for methane combustion, but can be readily
|
||||
% adapted for other chemistries.
|
||||
%
|
||||
% Developed by Ashwin Kumar/Dr.Joseph Meadows (mgak@vt.edu/jwm84@vt.edu) on 3-June-2020
|
||||
% Research Assistant/Assistant Professor
|
||||
% Advanced Propulsion and Power Laboratory
|
||||
% Virginia Tech
|
||||
% Example originally developed by Ashwin Kumar (Research Assistant, mgak@vt.edu) and
|
||||
% Dr. Joseph Meadows (Assistant Professor, jwm84@vt.edu), Advanced Propulsion and Power
|
||||
% Laboratory, Virginia Tech.
|
||||
%
|
||||
% Keywords: combustion, user-defined model, compressible flow, plotting
|
||||
% .. tags:: Matlab, combustion, user-defined model, compressible flow, plotting
|
||||
|
||||
%% Initialization
|
||||
|
||||
|
||||
@@ -1,11 +1,11 @@
|
||||
function prandtl1(g)
|
||||
%% PRANDTL1 - Prandtl number for an equilibrium H/O gas mixture.
|
||||
%% Prandtl number for an equilibrium H/O gas mixture
|
||||
%
|
||||
% This example computes and plots the Prandtl number for a hydrogen / oxygen
|
||||
% mixture in chemical equilibrium for P = 1 atm and a range of temperatures
|
||||
% and elemental O/(O+H) ratios.
|
||||
%
|
||||
% Keywords: equilibrium, transport, plotting
|
||||
% .. tags:: Matlab, equilibrium, transport, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,10 +1,10 @@
|
||||
function prandtl2(g)
|
||||
%% PRANDTL2 - Prandtl number for an equilibrium H/O gas mixture.
|
||||
%% Prandtl number for an equilibrium H/O gas mixture
|
||||
%
|
||||
% This example does the same thing as prandtl1, but using the
|
||||
% This example does the same thing as :doc:`prandtl1.m <prandtl1>`, but using the
|
||||
% multicomponent expression for the thermal conductivity.
|
||||
%
|
||||
% Keywords: transport, equilibrium, multicomponent transport, plotting
|
||||
% .. tags:: Matlab, transport, equilibrium, multicomponent transport, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,6 +1,9 @@
|
||||
% RANKINE - This example computes the efficiency of a simple vapor power cycle.
|
||||
%% Rankine cycle
|
||||
%
|
||||
% Keywords: thermodynamics, thermodynamic cycle, non-ideal fluid
|
||||
% Calculate the efficiency of a Rankine vapor power cycle using a pure fluid model
|
||||
% for water.
|
||||
%
|
||||
% .. tags:: Matlab, thermodynamics, thermodynamic cycle, non-ideal fluid
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,11 +1,11 @@
|
||||
function reactor1(g)
|
||||
%% REACTOR1 Zero-dimensional kinetics: adiabatic, constant pressure.
|
||||
%% Adiabatic, constant pressure reactor
|
||||
%
|
||||
% This example illustrates how to use class 'Reactor' for zero-dimensional
|
||||
% This example illustrates how to use class ``Reactor`` for zero-dimensional
|
||||
% kinetics simulations. Here the parameters are set so that the reactor is
|
||||
% adiabatic and very close to constant pressure.
|
||||
%
|
||||
% Keywords: combustion, reactor network, ignition delay, plotting
|
||||
% .. tags:: Matlab, combustion, reactor network, ignition delay, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,11 +1,11 @@
|
||||
function reactor2(g)
|
||||
%% REACTOR2 - Zero-dimensional kinetics: adiabatic, constant volume.
|
||||
%% Adiabatic, constant volume reactor
|
||||
%
|
||||
% This example illustrates how to use class 'Reactor' for zero-dimensional
|
||||
% This example illustrates how to use class ``Reactor`` for zero-dimensional
|
||||
% kinetics simulations. Here the parameters are set so that the reactor is
|
||||
% adiabatic and constant volume.
|
||||
%
|
||||
% Keywords: combustion, reactor network, ignition delay, plotting
|
||||
% .. tags:: Matlab, combustion, reactor network, ignition delay, plotting
|
||||
|
||||
clear all
|
||||
close all
|
||||
|
||||
@@ -1,16 +1,16 @@
|
||||
function dydt = reactor_ode(t, y, gas, vdot, area, heatflux)
|
||||
%% REACTOR ODE - system for a generic zero-dimensional reactor.
|
||||
%% ODE system for a generic zero-dimensional reactor
|
||||
%
|
||||
% Function REACTOR evaluates the system of ordinary differential equations
|
||||
% for a zero-dimensional reactor with arbitrary heat transfer and
|
||||
% volume change.
|
||||
% Function ``REACTOR_ODE`` evaluates the system of ordinary differential equations
|
||||
% for a zero-dimensional reactor with arbitrary heat transfer and volume change.
|
||||
% Used in :doc:`ignite.m <ignite>`.
|
||||
%
|
||||
% Solution vector components:
|
||||
% y(1) Total internal energy U
|
||||
% y(2) Volume V
|
||||
% y(3) Mass of species 1
|
||||
% ....
|
||||
% y(2+nsp) Mass of last species
|
||||
% :y(1): Total internal energy U
|
||||
% :y(2): Volume V
|
||||
% :y(3): Mass of species 1
|
||||
% :....:
|
||||
% :y(2+nsp): Mass of last species
|
||||
%
|
||||
|
||||
[m, n] = size(y);
|
||||
|
||||
@@ -1,9 +1,9 @@
|
||||
%% SURFREACTOR - Zero-dimensional reactor with surface chemistry
|
||||
%% Zero-dimensional reactor with surface chemistry
|
||||
%
|
||||
% This example illustrates how to use class 'Reactor' for zero-dimensional
|
||||
% This example illustrates how to use class ``Reactor`` for zero-dimensional
|
||||
% simulations including both homogeneous and heterogeneous chemistry.
|
||||
%
|
||||
% Keywords: catalysis, combustion, reactor network, plotting
|
||||
% .. tags:: Matlab, catalysis, combustion, reactor network, plotting
|
||||
|
||||
%% Initialization
|
||||
|
||||
|
||||
Reference in New Issue
Block a user