Methodology for extracting local constants from petroleum cracking flows

Patent · Sat Jan 01 00:00:00 EST 2000

OSTI ID:872807

Chang, Shen-Lin ^[1]; Lottes, Steven A ^[2]; Zhou, Chenn Q ^[3]

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1. Woodridge, IL
2. Naperville, IL
3. Munster, IN

A methodology provides for the extraction of local chemical kinetic model constants for use in a reacting flow computational fluid dynamics (CFD) computer code with chemical kinetic computations to optimize the operating conditions or design of the system, including retrofit design improvements to existing systems. The coupled CFD and kinetic computer code are used in combination with data obtained from a matrix of experimental tests to extract the kinetic constants. Local fluid dynamic effects are implicitly included in the extracted local kinetic constants for each particular application system to which the methodology is applied. The extracted local kinetic model constants work well over a fairly broad range of operating conditions for specific and complex reaction sets in specific and complex reactor systems. While disclosed in terms of use in a Fluid Catalytic Cracking (FCC) riser, the inventive methodology has application in virtually any reaction set to extract constants for any particular application and reaction set formulation. The methodology includes the step of: (1) selecting the test data sets for various conditions; (2) establishing the general trend of the parametric effect on the measured product yields; (3) calculating product yields for the selected test conditions using coupled computational fluid dynamics and chemical kinetics; (4) adjusting the local kinetic constants to match calculated product yields with experimental data; and (5) validating the determined set of local kinetic constants by comparing the calculated results with experimental data from additional test runs at different operating conditions.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States)
• DOE Contract Number: W-31109-ENG-38
• Assignee: University of Chicago (Chicago, IL)
• Patent Number(s): US 6013172
• OSTI ID: 872807
• Country of Publication: United States
• Language: English

Related Subjects

methodology
extracting
local
constants
petroleum
cracking
flows
provides
extraction
chemical
kinetic
model
reacting
flow
computational
fluid
dynamics
cfd
computer
code
computations
optimize
operating
conditions
design
including
retrofit
improvements
existing
systems
coupled
combination
data
obtained
matrix
experimental
tests
extract
dynamic
effects
implicitly
included
extracted
particular
application
applied
fairly
broad
range
specific
complex
reaction
sets
reactor
disclosed
terms
catalytic
fcc
riser
inventive
virtually
set
formulation
step
selecting
various
establishing
trend
parametric
effect
measured
product
yields
calculating
selected
kinetics
adjusting
match
calculated
validating
determined
comparing
results
additional
runs
product yields
catalytic cracking
experimental data
reactor systems
broad range
particular application
operating conditions
data obtained
data set
operating condition
data sets
inventive method
petroleum cracking
fluid dynamic
experimental tests
chemical kinetic
dynamic effects
determined set
design improvements
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