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U.S. Department of Energy
Office of Scientific and Technical Information

Methodologies for extracting kinetic constants for multiphase reacting flow simulation

Conference ·
OSTI ID:481494
Flows in industrial reactors often involve complex reactions of many species. A computational fluid dynamics (CFD) computer code, ICRKFLO, was developed to simulate multiphase, multi-species reacting flows. The ICRKFLO uses a hybrid technique to calculate species concentration and reaction for a large number of species in a reacting flow. This technique includes a hydrodynamic and reacting flow simulation with a small but sufficient number of lumped reactions to compute flow field properties followed by a calculation of local reaction kinetics and transport of many subspecies (order of 10 to 100). Kinetic rate constants of the numerous subspecies chemical reactions are difficult to determine. A methodology has been developed to extract kinetic constants from experimental data efficiently. A flow simulation of a fluid catalytic cracking (FCC) riser was successfully used to demonstrate this methodology.
Research Organization:
Argonne National Lab., IL (United States)
Sponsoring Organization:
USDOE Assistant Secretary for Fossil Energy, Washington, DC (United States)
DOE Contract Number:
W-31109-ENG-38
OSTI ID:
481494
Report Number(s):
ANL/ES/CP--92528; CONF-9704107--3; ON: DE97052985
Country of Publication:
United States
Language:
English