Reaction Object
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A reaction object contains parameters that describe a chemical reaction scheme in terms of reagents, reaction steps, rate constants and equilibrium constants. The reaction can be evaluated to provide concentrations of species as a function of time and starting concentration. The reaction can also be evaulated to give the equilibrium concentrations of reagents.
Thus:
R=reaction({'a','b','c'},[-1 -1 1],10,100)
returns R as a reaction object describing a simple bimolecular reaction "a + b --> c" with rate constant 10 and equilibrium constant 100.
C=concentrations(R,0:10,[1,1,0])
returns a dataset object containing concentrations of a, b and c for the above reaction evaulated at time points 0:10 and starting concentrations a=1, b=1, c=0.
More detailed documentation is included.
인용 양식
David Brook (2024). Reaction Object (https://www.mathworks.com/matlabcentral/fileexchange/7821-reaction-object), MATLAB Central File Exchange. 검색됨 .
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버전 | 게시됨 | 릴리스 정보 | |
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1.0.0.0 | Fixed several bugs in concentration calculation. Removed several extraneous files from archive |