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Model discrimination and parameter estimation in the kinetic study of methanol synthesis
Author(s) -
Xu Jianguo,
Rickert Thomas,
Hoffmann Ulrich
Publication year - 1988
Publication title -
chemical engineering and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.403
H-Index - 81
eISSN - 1521-4125
pISSN - 0930-7516
DOI - 10.1002/ceat.270110149
Subject(s) - methanol , computation , estimation theory , kinetic energy , biological system , range (aeronautics) , methane , mathematics , chemistry , thermodynamics , statistics , algorithm , materials science , physics , organic chemistry , quantum mechanics , composite material , biology
The new model discrimination method is based on the correlation coefficient test of experimental data sets for different reactions, without requiring a prior parameter estimation. The new parameter estimation method reduces by n the number of dimensions to be tested, compared to the classical method where n is the number of independent reactions in the system. This has reduced the computation time for most complex reactions to a level, comparable to that needed for single reactions. The example used is the kinetic study of methanol synthesis in which the formation rates of methanol, methane, ethanol and ethane are considered. Two adequately accurate models were obtained from an extensive range of plausible models by using the new model discrimination and parameter estimation method with a relatively small computation effort.