Rapid Molecular Reconstruction of the Chemical Composition of Complex Hydrocarbon Mixtures | Sciact - CRIS-система Института катализа

Rapid Molecular Reconstruction of the Chemical Composition of Complex Hydrocarbon Mixtures Научная публикация

Журнал

Theoretical Foundations of Chemical Engineering
ISSN: 0040-5795 , E-ISSN: 1608-3431

Вых. Данные

Год: 2024, Том: 58, Номер: 6, Страницы: 1-8 Страниц : 8 DOI: 10.1134/S0040579525601104

Ключевые слова

Molecular reconstruction, stochastic reconstruction, compositional modeling, heavy oil fractions, entropy maximization

Авторы

Glazov N.A. ¹ , Zagoruiko A.N. ¹

Организации

1	Institute of Catalysis SB RAS

Информация о финансировании (1)

Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

FWUR-2024-0037

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.

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

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

Поступила в редакцию:	30 янв. 2024 г.
Принята к публикации:	30 окт. 2024 г.

Web of science:	WOS:001450094100011
Scopus:	2-s2.0-105000753581

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