Cantera Lecture - Revision history

Admin: Fix math: replace \mbox with \text for MediaWiki math renderer compatibility (via update-page on MediaWiki MCP Server)

2026-06-14T23:08:56Z

Fix math: replace \mbox with \text for MediaWiki math renderer compatibility (via update-page on MediaWiki MCP Server)

← Older revision		Revision as of 23:08, 14 June 2026
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	As a TA for CHEN 6153, I gave a lecture on the installation and use of Cantera.		As a TA for CHEN 6153, I gave a lecture on the installation and use of Cantera.

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	<math>		<math>
	\frac{dV}{dt} = K_{\~~mbox~~{expansion}} A_{\~~mbox~~{wall}} ( P_1 - P_2 )		\frac{dV}{dt} = K_{\text{expansion}} A_{\text{wall}} ( P_1 - P_2 )
	</math>		</math>

Admin: /* Batch Reactor Example */

2017-04-17T07:37:43Z

Batch Reactor Example

← Older revision		Revision as of 07:37, 17 April 2017
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	What is going into our reactor?		What is going into our reactor?

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% Import a phase to fill the reactor with		% Import a phase to fill the reactor with
	% (The H2 combustion mechanism is contained in the file h2o2.cti, which comes with Cantera)		% (The H2 combustion mechanism is contained in the file h2o2.cti, which comes with Cantera)
	gas = importPhase('h2o2.cti');		gas = importPhase('h2o2.cti');
	</~~syntaxhighlight~~>		</pre>

	What is the thermodynamic state of the material going into the reactor?		What is the thermodynamic state of the material going into the reactor?

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% Set the gas temperature at 1500 K		% Set the gas temperature at 1500 K
	% Set the pressure at 1 atm		% Set the pressure at 1 atm
	% Set the composition to be 2 parts hydrogen, 1 part oxygen, and 20 parts dilute, inert Argon		% Set the composition to be 2 parts hydrogen, 1 part oxygen, and 20 parts dilute, inert Argon
	set(gas, 'T',1500, 'P',oneatm, 'X','H2:2, O2:1, AR:20')		set(gas, 'T',1500, 'P',oneatm, 'X','H2:2, O2:1, AR:20')
	</~~syntaxhighlight~~>		</pre>

	How to create a batch reactor? Create a Cantera Reactor object		How to create a batch reactor? Create a Cantera Reactor object

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% We have already set the thermodynamic state of the "gas" object		% We have already set the thermodynamic state of the "gas" object
	% But if we wanted to, we could set it when we create the Reactor		% But if we wanted to, we could set it when we create the Reactor
	batch = Reactor(gas);		batch = Reactor(gas);
	</~~syntaxhighlight~~>		</pre>

	We didn't specify the volume of the Reactor object - so how do we find it?		We didn't specify the volume of the Reactor object - so how do we find it?
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	What information ''can'' we get about the Reactor object?		What information ''can'' we get about the Reactor object?

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% We can use the volume() function to find the reactor's volume		% We can use the volume() function to find the reactor's volume
	volume(batch)		volume(batch)
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	% Show the functions available for Reactor objects		% Show the functions available for Reactor objects
	methods Reactor		methods Reactor
	</~~syntaxhighlight~~>		</pre>

	The method "setInitialVolume()" looks good, so we can use it to set the initial volume of the reactor:		The method "setInitialVolume()" looks good, so we can use it to set the initial volume of the reactor:

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	setInitialVolume( batch, 10.0 );		setInitialVolume( batch, 10.0 );
	</~~syntaxhighlight~~>		</pre>

	Another interesting method is "massFractions()":		Another interesting method is "massFractions()":

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% Display the mass fractions in the reactor		% Display the mass fractions in the reactor
	massFractions(batch)		massFractions(batch)
	</~~syntaxhighlight~~>		</pre>

	This returns a 9-element vector, but it isn't clear what mass fractions are for which species.		This returns a 9-element vector, but it isn't clear what mass fractions are for which species.
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	So use the same methodology:		So use the same methodology:

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	% Find the class type of the gas phase object		% Find the class type of the gas phase object
	class(gas)		class(gas)
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	% This list looks a little short - but we can show inherited methods like this:		% This list looks a little short - but we can show inherited methods like this:
	methods Solution -full		methods Solution -full
	</~~syntaxhighlight~~>		</pre>

	The "speciesNames()" function looks like what we want:		The "speciesNames()" function looks like what we want:

	<~~syntaxhighlight lang="matlab"~~>		<pre>
	speciesNames(gas)		speciesNames(gas)
	</~~syntaxhighlight~~>		</pre>

	This returns a 9-element vector of strings - names of species in the mechanism file 'h2o2.cti'.		This returns a 9-element vector of strings - names of species in the mechanism file 'h2o2.cti'.

Admin at 07:36, 17 April 2017

2017-04-17T07:36:33Z

← Older revision		Revision as of 07:36, 17 April 2017
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	~~{{Cantera}}~~

	~~{{Combustion}}~~

	{{CanteraFlag}}		{{CanteraFlag}}

Admin at 07:36, 17 April 2017

2017-04-17T07:36:05Z

← Older revision		Revision as of 07:36, 17 April 2017
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	So first, we'll create a gas phase to fill the piston with		So first, we'll create a gas phase to fill the piston with

	<~~source lang="matlab"~~>		<pre>
	% Create the H2-O2 gas phase		% Create the H2-O2 gas phase
	gas = importPhase('h2o2.cti');		gas = importPhase('h2o2.cti');
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	% Set the thermodynamic state of the gas		% Set the thermodynamic state of the gas
	set(gas, 'T', 1500, 'P', oneatm, 'X', 'H2:2,O2:1,AR:20');		set(gas, 'T', 1500, 'P', oneatm, 'X', 'H2:2,O2:1,AR:20');
	</~~source~~>		</pre>

	Next, create the reservoir that represents the atmosphere, and fill it with air:		Next, create the reservoir that represents the atmosphere, and fill it with air:

	<~~source lang="matlab"~~>		<pre>
	% Create an ideal gas mix of air		% Create an ideal gas mix of air
	a = IdealGasMix('air.cti');		a = IdealGasMix('air.cti');
	atmosphere = reservoir(a);		atmosphere = reservoir(a);
	</~~source~~>		</pre>

	A batch reactor must be created to represent the piston reactor:		A batch reactor must be created to represent the piston reactor:

	<~~source lang="matlab"~~>		<pre>
	batch = Reactor(gas);		batch = Reactor(gas);
	</~~source~~>		</pre>

	The next step is to create a wall representing the piston between the reservoir and the gas. Walls in Cantera can be thought of as pistons with a certain amount of friction, or weight.		The next step is to create a wall representing the piston between the reservoir and the gas. Walls in Cantera can be thought of as pistons with a certain amount of friction, or weight.
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	The larger the <math>K</math> value, the faster the response of the wall (piston).		The larger the <math>K</math> value, the faster the response of the wall (piston).

	<~~source lang="matlab"~~>		<pre>
	% Create a wall between the reactor and the atmosphere		% Create a wall between the reactor and the atmosphere
	w = Wall;		w = Wall;
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	% Set the expansion coefficient K		% Set the expansion coefficient K
	setExpansionRateCoeff(w, 1.0e10);		setExpansionRateCoeff(w, 1.0e10);
	</~~source~~>		</pre>

	Remember, we can also have walls with heat transfer, so we could have heat flowing in, or flowing out, through the wall		Remember, we can also have walls with heat transfer, so we could have heat flowing in, or flowing out, through the wall
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	Next, a reactor network can be created, in order to advance the reactor in time.		Next, a reactor network can be created, in order to advance the reactor in time.

	<~~source lang="matlab"~~>		<pre>
	network = ReactorNet( {batch} );		network = ReactorNet( {batch} );
	</~~source~~>		</pre>

	== CSTR Combustor ==		== CSTR Combustor ==
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	Create a reservoir of fuel, a reservoir of air, and a reservoir of hydrogen radicals (radicals are sure to initiate combustion reactions).		Create a reservoir of fuel, a reservoir of air, and a reservoir of hydrogen radicals (radicals are sure to initiate combustion reactions).

	<~~source lang="matlab"~~>		<pre>
	% Create a fuel from the GRI combustion mechanism		% Create a fuel from the GRI combustion mechanism
	fuel = GRI30;		fuel = GRI30;
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	set(igniter, 'T', 300, 'P', oneatm, 'X', 'H:1.0');		set(igniter, 'T', 300, 'P', oneatm, 'X', 'H:1.0');
	igniter_in = Reservoir(igniter);		igniter_in = Reservoir(igniter);
	</~~source~~>		</pre>

	The combustor must be initially filled with something - an inert gas is a good idea		The combustor must be initially filled with something - an inert gas is a good idea

	<~~source lang="matlab"~~>		<pre>
	inert = GRI30;		inert = GRI30;
	set(inert, 'T', 300, 'P', oneatm, 'X', 'N2:1.0');		set(inert, 'T', 300, 'P', oneatm, 'X', 'N2:1.0');
	combustor = Reactor(inert);		combustor = Reactor(inert);
	</~~source~~>		</pre>

	The next step is to set the equivalence ratio, and set the mass flowrates accordingly.		The next step is to set the equivalence ratio, and set the mass flowrates accordingly.

	<~~source lang="matlab"~~>		<pre>
	ER = 0.7;		ER = 0.7;

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	% Igniter mass flowrate		% Igniter mass flowrate
	igniter_mdot = 0.05;		igniter_mdot = 0.05;
	</~~source~~>		</pre>

	The mass flowrates could also be a Gaussian function in time, or a polynomial, e.g.		The mass flowrates could also be a Gaussian function in time, or a polynomial, e.g.

	<~~source lang="matlab"~~>		<pre>
	igniter_mdot = Func('gaussian', 0, [1.0, 0.0, 0.1] );		igniter_mdot = Func('gaussian', 0, [1.0, 0.0, 0.1] );
	igniter_mdot = Func('polynomial', 2.0, [0.0, 0.0, 0.1] );		igniter_mdot = Func('polynomial', 2.0, [0.0, 0.0, 0.1] );
	</~~source~~>		</pre>

	You can type "help Func" for more information.		You can type "help Func" for more information.
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	The next step is to create the mass flow controllers entering the reactor, and the pressure exhaust valve, and finally to set up the reactor network.		The next step is to create the mass flow controllers entering the reactor, and the pressure exhaust valve, and finally to set up the reactor network.

	<~~source lang="matlab"~~>		<pre>
	% Create the mass flowrate controllers feeding into the combustor		% Create the mass flowrate controllers feeding into the combustor
	m1 = MassFlowController(oxidizer_in, combustor);		m1 = MassFlowController(oxidizer_in, combustor);
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	% Now the reactor network can be created		% Now the reactor network can be created
	network = ReactorNet( {combustor} );		network = ReactorNet( {combustor} );
	</~~source~~>		</pre>

Admin at 07:05, 17 April 2017

2017-04-17T07:05:08Z

← Older revision		Revision as of 07:05, 17 April 2017
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	{{Combustion}}		{{Combustion}}

	~~[[Category:Combustion Software]]~~		{{CanteraFlag}}

Admin at 07:02, 17 April 2017

2017-04-17T07:02:50Z

← Older revision		Revision as of 07:02, 17 April 2017
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	As a TA for CHEN 6153, I gave a lecture on the installation and use of Cantera. ~~I made a video screencast of the lecture, which is available here: http://files.charlesmartinreid.com/CanteraScreencast.mov~~		As a TA for CHEN 6153, I gave a lecture on the installation and use of Cantera.

	~~You can download the example Matlab scripts here as well:~~
	* Constant volume batch reactor (Matlab) http://files.charlesmartinreid.com/CanteraLecture_Batch.m
	* Constant pressure batch reactor (Matlab) http://files.charlesmartinreid.com/CanteraLecture_BatchConstP.m
	* Continuously stirred combustor (Matlab) http://files.charlesmartinreid.com/CanteraLecture_CSTR.m
	* Adiabatic flame temperature (Python) http://files.charlesmartinreid.com/CanteraLecture_Adiabatic.py


	= Cantera Overview =		= Cantera Overview =

Admin: /* Batch Reactor Example */

2012-07-04T16:10:09Z

Batch Reactor Example

← Older revision		Revision as of 16:10, 4 July 2012
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	This returns a 9-element vector of strings - names of species in the mechanism file 'h2o2.cti'.		This returns a 9-element vector of strings - names of species in the mechanism file 'h2o2.cti'.

	~~{{Stub\|plot of Cantera batch reactor results}}~~



	== Constant Pressure Reactor Example ==		== Constant Pressure Reactor Example ==

Admin at 11:16, 30 May 2011

2011-05-30T11:16:46Z

← Older revision		Revision as of 11:16, 30 May 2011
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			{{Cantera}}

	{{Combustion}}		{{Combustion}}


	~~[[Category:Cantera]]~~
	[[Category:Combustion Software]]		[[Category:Combustion Software]]

Admin at 01:34, 19 May 2011

2011-05-19T01:34:58Z

← Older revision		Revision as of 01:34, 19 May 2011
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	[[Category:Cantera]]		[[Category:Cantera]]
			[[Category:Combustion Software]]

Admin: /* Python Examples */

2011-05-12T09:53:47Z

Python Examples

Show changes