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Harry Moffat 2010-03-26 16:23:37 +00:00
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tools/doc/doxyinput/thermo.txt
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\page thermopage Thermodynamic Properties
%Cantera can be used to compute thermodynamic properties of pure
substances, solutions, and mixtures of various types, including ones
containing multiple phases. The first step is to create an object that
represents each phase.
%Cantera can be used to compute thermodynamic properties of pure substances, solutions, and mixtures of various types, including ones containing multiple phases. The first step is to create an object that
represents each phase. A simple complete program that creates an object representing a gas mixture and prints its temperature is shown below.
A simple complete program that creates an object representing a gas mixture and prints its temperature is shown below.
\include ex1.cpp
Class \link Cantera::ThermoPhase ThermoPhase \endlink
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Class ThermoPhase can be used to represent the intensive state of any
single-phase solution of multiple species. The phase may be a bulk,
three-dimensional phase (a gas, a liquid, or a solid), or may be a
three-dimensional phase (a gas, a liquid, or a solid), or it may be a
two-dimensional surface phase, or even a one-dimensional "edge"
phase. The specific attributes of each type of phase are specified by
deriving a class from ThemoPhase and providing implementations for the
virtual methods of ThermoPhase.
deriving a class from %ThemoPhase and providing implementations for the
virtual methods of %ThermoPhase.
%Cantera has a wide variety of models for bulk phase currently. Special
attention (in terms of the speed of execution) has been paid to an ideal gas phase implementation, where the
species thermodynamic polynomial representations adhere to either the NASA
polynomial form or to the Shomate polynomoial form. This is widely used in
combustion applications, the origin application that %Cantera was
designed for. Recently, a lot of effort has been placed into constructing non-ideal
liquid phase thermodynamics models that are used in electrochemistry and
battery applications. These models include a Pitzer implementation for brines
solutions and a Margules excess Gibbs free energy implementation for molten
salts.
\section The Intensive Thermodynamic State
Class ThermoPhase and classes derived from it work only with the
Class %ThermoPhase and classes derived from it work only with the
intensive thermodynamic state. That is, all extensive properties
(enthalpy, entropy, internal energy, volume, etc.) are computed for a
unit quantity (on a mass or mole basis). For example, there is a