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18.104.22.168 Law of Mass Action for Reversible Reactions
The material type for the Law of Mass Action for a reversible reaction is mass-action-reversible. The following parameters must be defined:
|<forward_rate>||specific forward reaction rate|
|<reverse_rate>||specific reverse reaction rate|
For this type of reaction the constitutive relation for the molar production rate is given by where The constitutive form of the specific forward and reverse reaction rates must be selected from the list of materials given in Section 4.11.4↓. The units of and are [n/L t] and those of are [n/L ].
Consider the reversible dissociation of CaCl salt into Ca and Cl in water, All three species are modeled explicitly in the mixture as solutes, with id's 1 (for CaCl , 2 (for Ca and 3 (for Cl . The chemical reaction material is given by:
<reaction name="CaCl2 dissociation" type="mass-action-reversible"> <vR sol="1">1</vR> <vP sol="2">1</vP> <vP sol="3">2</vP> <forward_rate type="constant"> <k>1.0</k> </forward_rate> <reverse_rate type="constant"> <k>0.1</k> </reverse_rate> </reaction>