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4.11.2 General Specification for Chemical Reactions
The material type for a chemical reaction is “reaction”. The <reaction> tag must appear inside the definition of a multiphasic mixture and the reaction is defined only for that mixture. Multiple chemical reactions may be defined in a given mixture. Each <reaction> tag must include a type attribute that identifies the constitutive relation for .
The stoichiometric coefficients of the reactants and for the products must be specified in every reaction. Optionally, the net reaction molar volume may be specified explicitly to override the internal value calculated in the code. Therefore, the following parameters need to be defined in a chemical reaction:
|<vR>||reactant stoichiometric coefficient||[ ]|
|<vP>||product stoichiometric coefficient||[ ]|
|<Vbar>||optional override value for||[L /n]|
Each <vR> and <vP> tag must include either the sol attribute, which should reference a solute id from the <Solutes> description in the <Globals> section (Section 3.4.2↑), or the sbm attribute, which should reference a solid-bound molecule id from the <SolidBoundMolecules> description in the <Globals> section (Section 3.4.3↑). Only solutes and solid-bound molecules that have been included in the parent multiphasic mixture may be specified as reactants or products of a chemical reaction.
Additional parameters may be needed in the definition of a chemical reaction, depending on the specific form of the constitutive relation for the production rate.