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Rapid Molecular Reconstruction of the Chemical Composition of Complex Hydrocarbon Mixtures Full article

Journal Theoretical Foundations of Chemical Engineering
ISSN: 0040-5795 , E-ISSN: 1608-3431
Output data Year: 2024, Volume: 58, Number: 6, Pages: 1-8 Pages count : 8 DOI: 10.1134/S0040579525601104
Tags Molecular reconstruction, stochastic reconstruction, compositional modeling, heavy oil fractions, entropy maximization
Authors Glazov N.A. 1 , Zagoruiko A.N. 1
Affiliations
1 Institute of Catalysis SB RAS

Funding (1)

1 Ministry of Science and Higher Education of the Russian Federation FWUR-2024-0037

Abstract: A new heuristic approach is proposed for significantly faster performance of stochastic molecular reconstruction. Its basis is a two-stage method that combines stochastic reconstruction and entropy maximization reconstruction. In the proposed method, the search for optimal distribution parameters is carried out by solving several relatively simple optimization problems. The proposed method makes it possible to reconstruct the composition of a vacuum gas oil sample at least 100 times faster than the classical approach with genetic algorithms.
Cite: Glazov N.A. , Zagoruiko A.N.
Rapid Molecular Reconstruction of the Chemical Composition of Complex Hydrocarbon Mixtures
Theoretical Foundations of Chemical Engineering. 2024. V.58. N6. P.1-8. DOI: 10.1134/S0040579525601104 WOS Scopus РИНЦ
Original: Глазов Н.А. , Загоруйко А.Н.
Быстрая молекулярная реконструкция химического состава сложных углеводородных смесей
Теоретические основы химической технологии. 2024. Т.58. №6. С.811-819. DOI: 10.31857/S0040357124060137 РИНЦ
Dates:
Submitted: Jan 30, 2024
Accepted: Oct 30, 2024
Identifiers:
Web of science: WOS:001450094100011
Scopus: 2-s2.0-105000753581
Elibrary: 80504578
Citing: Пока нет цитирований
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