Cantera/CTI Files/Phases - Revision history

Admin at 08:44, 17 April 2017

2017-04-17T08:44:01Z

← Older revision		Revision as of 08:44, 17 April 2017
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	Main ~~Cantera page on CTI files: [[~~Cantera/CTI Files]]		{{Main\|Cantera/CTI Files}}

	=Theory of Phases=		=Theory of Phases=
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			=Flags=

			{{CanteraFlag}}
	~~[[Category:Cantera]]~~

Admin: /* Theory of Phases */

2014-03-27T02:13:05Z

Theory of Phases

← Older revision		Revision as of 02:13, 27 March 2014
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	* P is the number of phases		* P is the number of phases

			Note, however, that the Gibbs phase rule only applies to one particular gas state. If we're looking at two locations at either end of a geometry with non-uniform thermodynamic states, or if we're looking at differential volumes of gas and solid catalyst, the Gibbs phase rule only applies to each individual location separately, independently.

Admin: /* Some Theory */

2014-03-27T02:06:43Z

Some Theory

← Older revision		Revision as of 02:06, 27 March 2014
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	Main Cantera page on CTI files: [[Cantera/CTI Files]]		Main Cantera page on CTI files: [[Cantera/CTI Files]]

	=~~Some~~ Theory=		=Theory of Phases=

	One of the most important rules about phases is the Gibbs phase rule (http://en.wikipedia.org/wiki/Phase_rule). This rule states that the number of degrees of freedom that must be specified for a gas to have a fixed thermodynamic state is given by the formula:		One of the most important rules about phases is the Gibbs phase rule (http://en.wikipedia.org/wiki/Phase_rule). This rule states that the number of degrees of freedom that must be specified for a gas to have a fixed thermodynamic state is given by the formula:
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			There is more information over at the [[Chemical Equilibrium]] page, which has some lecture notes.

	=Phase Specification=		=Phase Specification=

Admin at 02:05, 27 March 2014

2014-03-27T02:05:52Z

← Older revision		Revision as of 02:05, 27 March 2014
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	Main Cantera page on CTI files: [[Cantera/CTI Files]]		Main Cantera page on CTI files: [[Cantera/CTI Files]]

			=Some Theory=

			One of the most important rules about phases is the Gibbs phase rule (http://en.wikipedia.org/wiki/Phase_rule). This rule states that the number of degrees of freedom that must be specified for a gas to have a fixed thermodynamic state is given by the formula:

			<math>
			F = C - P + 2
			</math>

			where:
			* F is the number of degrees of freedom,
			* C is the number of components
			* P is the number of phases



	=Phase Specification=		=Phase Specification=

Admin at 23:35, 29 January 2014

2014-01-29T23:35:31Z

← Older revision		Revision as of 23:35, 29 January 2014
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	)		)
	</pre>		</pre>

			=Specifying Phase Properties=

	==Phase Type==		==Phase Type==
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			=Examples=

	<pre>		<pre>

Admin at 23:34, 29 January 2014

2014-01-29T23:34:26Z

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 * Initial state of phase
 * Phase options
 ==Phase Type==
@@ Line 35: / Line 48: @@
 ==Phase Name==
 <pre>
@@ Line 53: / Line 70: @@
 </pre>
 <pre>
@@ Line 79: / Line 87: @@
+           )
 </pre>
 <pre>
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 </pre>
 [[Category:Cantera]]

Admin: /* Phase Type */

2014-01-29T23:29:33Z

Phase Type

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 ==Phase Type==
-There are a couple of valid phase types.
+The valid phase types for a CTI file are each defined as classes in the file <code>ctml_writer.py</code>. Each object uses a more generic phase object as a base class. The valid phase types are:
 ==Phase Name==

Admin at 23:20, 29 January 2014

2014-01-29T23:20:35Z

← Older revision		Revision as of 23:20, 29 January 2014
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	* Initial state of phase		* Initial state of phase
	* Phase options		* Phase options

			==Phase Type==

			There are a couple of valid phase types.

	==Phase Name==		==Phase Name==

Admin at 22:41, 29 January 2014

2014-01-29T22:41:29Z

@@ Line 3: / Line 3: @@
 =Phase Specification=
-==Gas==
+Each phase that is used in a problem must be specified in the input file.
 <pre>
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+           )
 </pre>
 ==Interface (Surface)==
 <pre>
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 </pre>
 [[Category:Cantera]]

Admin: Created page with "Main Cantera page on CTI files: Cantera/CTI Files =Phase Specification= ==Gas==

 ideal_gas(name = "gas",          elements = "O H C N Ar",          species = """gri30..."

2014-01-29T22:14:47Z

Created page with "Main Cantera page on CTI files: Cantera/CTI Files =Phase Specification= ==Gas== <pre> ideal_gas(name = "gas", elements = "O H C N Ar", species = """gri30..."

New page

Main Cantera page on CTI files: [[Cantera/CTI Files]]

=Phase Specification=

==Gas==

<pre>
ideal_gas(name = "gas",
elements = "O H C N Ar",
species = """gri30: H2 H O O2 OH
H2O HO2 H2O2
C CH CH2 CH2(S) CH3 CH4 CO CO2
HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
C2H4 C2H5 C2H6 HCCO CH2CO HCCOH AR N2""",
transport = 'Mix',
reactions = 'gri30: all',
options = ['skip_undeclared_elements',
'skip_undeclared_species'],
initial_state = state(temperature = 300.0, pressure = OneAtm,
mole_fractions = 'CH4:0.095, O2:0.21, AR:0.79')
)
</pre>

==Interface (Surface)==

<pre>
ideal_interface(name = "Pt_surf",
elements = " Pt H O C ",
species = """ PT(S) H(S)
H2O(S) OH(S) CO(S) CO2(S) CH3(S)
CH2(S)s CH(S) C(S) O(S) """,
phases = "gas",
site_density = 2.7063e-9,
reactions = "all",
initial_state = state(temperature = 900.0,
coverages = 'O(S):0.0, PT(S):0.5, H(S):0.5')
)
</pre>

[[Category:Cantera]]