Wolfram Function Repository

Instant-use add-on functions for the Wolfram Language

Function Repository Resource:

 ReactionMolecularity

Source Notebook

Compute the number of reactants involved in a balanced chemical reaction

Contributed by: Sarah Ku

ResourceFunction["ReactionMolecularity"][rxn]

gives the molecularity for the chemical reaction rxn.

Details

ReactionMolecularity accepts ChemicalReaction and PatternReaction inputs.
Molecularity is the number of reactants needed on the left side of the balanced reaction.

Examples

Basic Examples

Compute the molecularity for a ChemicalReaction:

In[1]:=
ResourceFunction["ReactionMolecularity"][ ChemicalReaction[<|ChemicalInstance[ Entity["Chemical", "MolecularOxygen"], <|"Phase" -> "Gas"|>] -> 1, ChemicalInstance[ Entity["Chemical", "MolecularHydrogen"], <|"Phase" -> "Gas"|>] -> 1|> -> <|ChemicalInstance[ Entity["Chemical", "Water"], <|"Phase" -> "Gas"|>] -> 1|>]]
Out[1]=

Compute the molecularity for a PatternReaction:

In[2]:=
ResourceFunction["ReactionMolecularity"][ PatternReaction["[Na:1][Cl:2]>>[Na+:1].[Cl-:2]"]]
Out[2]=

Compute the molecularity for a bimolecular ChemicalReaction:

In[3]:=
(* Evaluate this cell to get the example input *) CloudGet["https://www.wolframcloud.com/obj/ac29c3b3-4a2d-4e2e-b3bf-0a4e47371f79"]
Out[3]=

Compute the molecularity for a termolecular ChemicalReaction:

In[4]:=
ResourceFunction["ReactionMolecularity"][ ChemicalReaction[<|Entity["Chemical", "ZincHydroxide"] -> 1, Entity["Chemical", "HydrogenChloride"] -> 1|> -> <|Entity[ "Chemical", "ZincChloride"] -> 1, Entity["Chemical", "Water"] -> 2|>]]
Out[4]=

Publisher

Sarah Ku

Requirements

Wolfram Language 13.0 (December 2021) or above

Version History

  • 2.0.0 – 09 October 2024
  • 1.0.0 – 08 July 2024

Source Metadata

Related Resources

Author Notes

This submission is an outcome of the author's 2024 WSRP project: Building functions to classify chemical reaction properties​

ResourceFunction["ReactionMolecularity"] was previously limited to elementary reactions. That behavior is now available with the resource function ElementaryReactionType.

License Information