3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems

A major challenge in simulating chemical reaction processes is integrating the stiff systems of Ordinary Differential Equations (ODEs) describing the chemical reactions due to stiffness. Thus, it would be of interest to search systematically for stiff solvers that are close to optimal for such probl...

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Main Authors: Soomro, H., Zainuddin, N., Daud, H., Sunday, J., Jamaludin, N., Abdullah, A., Mulono, A., Kadir, E.A.
Format: Article
Published: 2023
Online Access:http://scholars.utp.edu.my/id/eprint/34316/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139680540&doi=10.1007%2fs10910-022-01402-2&partnerID=40&md5=119bafd3d0df3239e940c1b43e70c4f1
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spelling oai:scholars.utp.edu.my:343162023-01-31T03:54:29Z http://scholars.utp.edu.my/id/eprint/34316/ 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems Soomro, H. Zainuddin, N. Daud, H. Sunday, J. Jamaludin, N. Abdullah, A. Mulono, A. Kadir, E.A. A major challenge in simulating chemical reaction processes is integrating the stiff systems of Ordinary Differential Equations (ODEs) describing the chemical reactions due to stiffness. Thus, it would be of interest to search systematically for stiff solvers that are close to optimal for such problems. This paper presents an implicit 3-Point Block Backward Differentiation Formula with one off-step point (3POBBDF) for the solutions of first-order stiff chemical reaction problems. In deriving the method, the Lagrange polynomial was adopted as the basis function. The paper further analyses the basic properties of the 3POBBDF which include order of accuracy, consistence, zero-stability, and convergence. The stability region as well as the interval of instability of the method was also computed. To demonstrate the accuracy of the proposed approach, some famous stiff chemical reaction problems such as Robertson problem and Chemical AKZO were solved, and the results obtained were compared with those of some existing methods. The results obtained clearly show that the 3POBBDF performs better than the existing methods with which we compared our results. © 2022, The Author(s). 2023 Article NonPeerReviewed Soomro, H. and Zainuddin, N. and Daud, H. and Sunday, J. and Jamaludin, N. and Abdullah, A. and Mulono, A. and Kadir, E.A. (2023) 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems. Journal of Mathematical Chemistry, 61 (1). pp. 75-97. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139680540&doi=10.1007%2fs10910-022-01402-2&partnerID=40&md5=119bafd3d0df3239e940c1b43e70c4f1 10.1007/s10910-022-01402-2 10.1007/s10910-022-01402-2 10.1007/s10910-022-01402-2
institution Universiti Teknologi Petronas
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continent Asia
country Malaysia
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description A major challenge in simulating chemical reaction processes is integrating the stiff systems of Ordinary Differential Equations (ODEs) describing the chemical reactions due to stiffness. Thus, it would be of interest to search systematically for stiff solvers that are close to optimal for such problems. This paper presents an implicit 3-Point Block Backward Differentiation Formula with one off-step point (3POBBDF) for the solutions of first-order stiff chemical reaction problems. In deriving the method, the Lagrange polynomial was adopted as the basis function. The paper further analyses the basic properties of the 3POBBDF which include order of accuracy, consistence, zero-stability, and convergence. The stability region as well as the interval of instability of the method was also computed. To demonstrate the accuracy of the proposed approach, some famous stiff chemical reaction problems such as Robertson problem and Chemical AKZO were solved, and the results obtained were compared with those of some existing methods. The results obtained clearly show that the 3POBBDF performs better than the existing methods with which we compared our results. © 2022, The Author(s).
format Article
author Soomro, H.
Zainuddin, N.
Daud, H.
Sunday, J.
Jamaludin, N.
Abdullah, A.
Mulono, A.
Kadir, E.A.
spellingShingle Soomro, H.
Zainuddin, N.
Daud, H.
Sunday, J.
Jamaludin, N.
Abdullah, A.
Mulono, A.
Kadir, E.A.
3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
author_facet Soomro, H.
Zainuddin, N.
Daud, H.
Sunday, J.
Jamaludin, N.
Abdullah, A.
Mulono, A.
Kadir, E.A.
author_sort Soomro, H.
title 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
title_short 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
title_full 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
title_fullStr 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
title_full_unstemmed 3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
title_sort 3-point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems
publishDate 2023
url http://scholars.utp.edu.my/id/eprint/34316/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139680540&doi=10.1007%2fs10910-022-01402-2&partnerID=40&md5=119bafd3d0df3239e940c1b43e70c4f1
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score 13.18916