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126.96.36.199 Law of Mass Action for Forward Reactions
The material type for the Law of Mass Action for a forward reaction is mass-action-forward. The following parameters must be defined:
|<forward_rate>||specific forward reaction rate|
For this type of reaction the constitutive relation for the molar production rate is given by The constitutive form of the specific forward reaction rate must be selected from the list of materials given in Section 4.11.4↓. The units of are [n/L t] and those of are [n/L ].
Consider the forward reaction that produces solid copper sulfide from solid copper and solid sulfur, All three species are modeled explicitly in the mixture as solid-bound molecules, with id's 1 (Cu), 2 (for S) and 3 (for CuS). The chemical reaction material is given by:
<reaction name="copper sulfide production" type="mass-action-forward"> <vR sbm="1">1</vR> <vR sbm="2">1</vR> <vP sbm="3">1</vP> <forward_rate type="constant reaction rate"> <k>1e-3</k> </forward_rate> </reaction>