Enabling stability analysis of tubular reactor models using PDE/PDAE integrators

E. D. Koronaki; A. G. Boudouvis; I. G. Kevrekidis

doi:10.1016/S0098-1354(03)00004-8

Enabling stability analysis of tubular reactor models using PDE/PDAE integrators

E. D. Koronaki, A. G. Boudouvis, I. G. Kevrekidis

Chemical & Biological Engineering

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

We discuss the construction of computational superstructures enabling time-dependent process simulation codes to perform stability, continuation and bifurcation calculations - tasks in principle not accessible to them - directly. The basis of the approach is the so-called Recursive Projection Method of Shroff and Keller (SIAM Journal of Numerical Analysis 31). We discuss its implementation and performance for the detection of different types of bifurcations (with emphasis on Hopf bifurcations) as well as slight modifications appropriate for index 1 partial differential/algebraic equations (PDAE) simulators. Tests that help discriminate between physical and numerical (spurious) bifurcations detected in the process are discussed and illustrated through the standard example of a tubular reactor with a single irreversible exothermic reaction.

Original language	English (US)
Pages (from-to)	951-964
Number of pages	14
Journal	Computers and Chemical Engineering
Volume	27
Issue number	7
DOIs	https://doi.org/10.1016/S0098-1354(03)00004-8
State	Published - Jul 15 2003

All Science Journal Classification (ASJC) codes

General Chemical Engineering
Computer Science Applications

Keywords

Recursive projection method
Stability analysis
Timesteppers
Tubular reactor

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10.1016/S0098-1354(03)00004-8

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title = "Enabling stability analysis of tubular reactor models using PDE/PDAE integrators",

abstract = "We discuss the construction of computational superstructures enabling time-dependent process simulation codes to perform stability, continuation and bifurcation calculations - tasks in principle not accessible to them - directly. The basis of the approach is the so-called Recursive Projection Method of Shroff and Keller (SIAM Journal of Numerical Analysis 31). We discuss its implementation and performance for the detection of different types of bifurcations (with emphasis on Hopf bifurcations) as well as slight modifications appropriate for index 1 partial differential/algebraic equations (PDAE) simulators. Tests that help discriminate between physical and numerical (spurious) bifurcations detected in the process are discussed and illustrated through the standard example of a tubular reactor with a single irreversible exothermic reaction.",

keywords = "Recursive projection method, Stability analysis, Timesteppers, Tubular reactor",

author = "Koronaki, {E. D.} and Boudouvis, {A. G.} and Kevrekidis, {I. G.}",

note = "Funding Information: This work was partially supported by the General Secretariat for Research and Technology of Greece through the ΠENEΔ program. It was also supported by the National Science Foundation, the Air Force Office of Scientific Research/USA and UTRC (IGK). The authors would like to thank Dr K. Lust, Dr C. Theodoropoulos and Dr C. Siettos for valuable discussions, and also Professor C. Pantelides and Professor L. Petzold for many useful comments on the application of the RPM to systems of DAEs. ",

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T1 - Enabling stability analysis of tubular reactor models using PDE/PDAE integrators

AU - Koronaki, E. D.

AU - Boudouvis, A. G.

AU - Kevrekidis, I. G.

N1 - Funding Information: This work was partially supported by the General Secretariat for Research and Technology of Greece through the ΠENEΔ program. It was also supported by the National Science Foundation, the Air Force Office of Scientific Research/USA and UTRC (IGK). The authors would like to thank Dr K. Lust, Dr C. Theodoropoulos and Dr C. Siettos for valuable discussions, and also Professor C. Pantelides and Professor L. Petzold for many useful comments on the application of the RPM to systems of DAEs.

PY - 2003/7/15

Y1 - 2003/7/15

N2 - We discuss the construction of computational superstructures enabling time-dependent process simulation codes to perform stability, continuation and bifurcation calculations - tasks in principle not accessible to them - directly. The basis of the approach is the so-called Recursive Projection Method of Shroff and Keller (SIAM Journal of Numerical Analysis 31). We discuss its implementation and performance for the detection of different types of bifurcations (with emphasis on Hopf bifurcations) as well as slight modifications appropriate for index 1 partial differential/algebraic equations (PDAE) simulators. Tests that help discriminate between physical and numerical (spurious) bifurcations detected in the process are discussed and illustrated through the standard example of a tubular reactor with a single irreversible exothermic reaction.

AB - We discuss the construction of computational superstructures enabling time-dependent process simulation codes to perform stability, continuation and bifurcation calculations - tasks in principle not accessible to them - directly. The basis of the approach is the so-called Recursive Projection Method of Shroff and Keller (SIAM Journal of Numerical Analysis 31). We discuss its implementation and performance for the detection of different types of bifurcations (with emphasis on Hopf bifurcations) as well as slight modifications appropriate for index 1 partial differential/algebraic equations (PDAE) simulators. Tests that help discriminate between physical and numerical (spurious) bifurcations detected in the process are discussed and illustrated through the standard example of a tubular reactor with a single irreversible exothermic reaction.

KW - Recursive projection method

KW - Stability analysis

KW - Timesteppers

KW - Tubular reactor

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JO - Computers and Chemical Engineering

JF - Computers and Chemical Engineering

IS - 7

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Enabling stability analysis of tubular reactor models using PDE/PDAE integrators

Abstract

All Science Journal Classification (ASJC) codes

Keywords

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