See Smith and Missen, "Chemical Reaction Equilibrium Analysis" for more information on the Functions calculate almost all the most common thermodynamic quantities of mixtures. Require solving K nonlinear equations, where \(K\) is the number of species (usually \(K > HOT is a package of Matlab and Octave compatible functions that manage thermodynamic data for a wide range of species. The so-called 'stoichiometric' methods, on the other hand, (including Gibbs minimization), Set of \(M\) nonlinear algebraic equations, where \(M\) is the number of elements (not 'nonstoichiometric' methods that all have the characteristic that the problem reduces to solving a The element potential method is one of a class of equivalent Method equilibrate() invokes Cantera's chemical equilibrium solver, which usesĪn element potential method. You might be wondering how equilibrate() works. The Thermodynamic Property Toolbox consists of MATLAB functions for the. > set ( g, 'T', 2000.0, 'P', oneatm, 'X', 'CH4:0.95,O2:2,N2:7.52' ) > equilibrate ( g, 'TP' ) > rf = rop_f ( g ) > rr = rop_r ( g ) > format short e > for i = 1 : nReactions ( g ) > if isReversible ( g, i ) > disp () > end > end Calculations in thermodynamics, fluid mechanics, and heat transfer rely heavily. Methods take the object as the first argument.): Method is just the term for a function that acts on an object. If you want to set multiple properties at once, use the set() method. Setting the composition is done holding temperatureĪnd density fixed. Setting the pressure is done holding temperature andĬomposition fixed. Setting the temperature is done holding density and composition fixed. (temperature, density, mass fractions) is altered by setting any Intensive state of a substance (or mixture).Ĭantera adopts the following convention: only one of the set This isīecause thermodynamics requires that two properties (not one) inĪddition to composition information be specified to fix the When setting properties individually, some convention needs to beĪdopted to specify which other properties are held constant. Notice that the temperature has been changed as requested, but the pressure hasĬhanged too. Of 1.0, and all of the others will be zero. General, whichever species is listed first will initially have a mole fraction There is nothing special about H2, it just happens toīe the first species listed in the input file defining GRI-Mech 3.0. The summary of the state of gas1 printed above shows that new objectsĬreated from the gri30.yaml input file start out with a temperature of 300 K,Ī pressure of 1 atm, and have a composition that consists of only one species, Temperature, a pressure, species mole and mass fractions, etc. The gas1 object has properties you would expect for a gas mixture-it has a Implements GRI-Mech 3.0, the 53-species, 325-reaction natural gasĬombustion mechanism developed by Gregory P. What you have just done is to create an object ( gas1) that