By Warren E. Stewart
Discover ways to practice modeling and parameter estimation instruments and methods to chemicalprocesses utilizing your individual laptop
This booklet introduces readers to robust parameter estimation and computational tools for modeling complicated chemical reactions and response methods. It offers important mathematical versions, numerical tools for fixing them, and statistical tools for trying out and discriminating candidate versions with experimental info. themes coated contain:
Chemical response versions
Chemical reactor types
likelihood and records
procedure modeling with single-response facts
strategy modeling with multi-response info
software program (Athena visible Studio) is on the market through a comparable site http://www.athenavisual.com permitting readers to hold out parameter estimation according to their information and to hold out technique modeling utilizing those parameters. As an relief to the reader, an appendix of instance difficulties and options is supplied.
Computer-Aided Modeling of Reactive platforms is a perfect supplemental textual content for complex undergraduates and graduate scholars in chemical engineering classes, whereas it additionally serves as a helpful source for practitioners in who are looking to sustain to this point at the most present instruments and methods to be had.
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Additional info for Computer-aided modeling of reactive systems
This simple reparameterization of Eq. 4-6) is very advantageous for estimation of k 3 ( T ) from data and will be used in Chapter 6. A power of T may appear in the expression for k 3 ( T )when alternative standard states are introduced, or when a more detailed theoretical expression for k, (T) is used. For these situations. the expression 13 Chemical Reaction Models is more realistic. Values of E, appropriate to this equation differ somewhat from those for Eq. 4-7). except when m, = 0. More detailed expressions are available from absolute reaction rate theory (Pelzer and Wigner 1932; Evans and Polanyi 1935; Eyring 1935).
L. Laurence, Polymerization reaction engineering, in Chemical Reactor Theory: A Review, L. Lapidus and N. R. , PrenticeHall, Englewood Cliffs, NJ (1977), 532-582. Razbn, L. , and R. A . Schmitz, Multiplicities and instabilities in chemically reacting systems - a review, Chem. Eng. , 42, 1005-1047 (1987). Rideal, E. : A note on a simple molecular mechanism for heterogeneous catalytic react,ions, Proc. Camb. Phil. : 35, 130-132 (1939). Robinson, P. : and K. A. Holbrook, Unimolecular Reactions, Wiley, New York (1972).
Computer-aided modeling of reactive systems by Warren E. Stewart