Simulation as an aid to experimental design
A simulator of chemical reactions can aid the scientist in the design of experimentation. They are of great value when studying enzymatic kinetic reactions. One such simulator is a numerical ordinary differential equation solver which uses interactive graphics to provide the user with the capability to simulate an extremely wide range of enzyme reaction conditions for many types of single substrate reactions. The concentration vs. time profiles of any subset or all nine states of a complex reaction can be displayed with and without simulated instrumental noise. Thus the user can estimate the practicality of any proposed experimentation given known instrumental noise. The experimenter can readily determine which state provides the most information related to the proposed kinetic parameters and mechanism. A general discussion of the program including the nondimensionalization of the set of differential equations is included. Finally, several simulation examples are shown and the results discussed.
- Research Organization:
- Lawrence Livermore National Lab., CA
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 6899229
- Journal Information:
- Anal. Chem.; (United States), Vol. 55:6
- Country of Publication:
- United States
- Language:
- English
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