Title: Research on molecular engineering and molecular management for oil energy and its applications

Authors: Qing Wu; Baocheng Qiu; Baoqing Deng; Yi Liu; Yi Zhang

Addresses: Department of Science and Technology Development, China National Offshore Oil Corporation, Taiyanggong South Street 6, Chaoyang, Beijing, 100029, China ' State Key Laboratory of Organic-Inorganic Composites, Department of Chemical Engineering, Beijing University of Chemical Technology, 15# Beisanhuan East Road, Chaoyang, Beijing 100029, China ' State Key Laboratory of Organic-Inorganic Composites, Department of Chemical Engineering, Beijing University of Chemical Technology, 15# Beisanhuan East Road, Chaoyang, Beijing 100029, China ' State Key Laboratory of Organic-Inorganic Composites, Department of Chemical Engineering, Beijing University of Chemical Technology, 15# Beisanhuan East Road, Chaoyang, Beijing 100029, China ' State Key Laboratory of Organic-Inorganic Composites, Department of Chemical Engineering, Beijing University of Chemical Technology, 15# Beisanhuan East Road, Chaoyang, Beijing 100029, China

Abstract: Oil processing industry has long been a pillar industry. How to utilise the precious petroleum resource, to re-recognise and re-match resources, catalysts, and processes, and achieve maximum resource value at minimum costs in a green, efficient, and highly selective manner, have been a critical topic. Based on above mentioned points, 'molecular engineering and management for petroleum' has attracted more and more attention from industrial and academic community. The molecular engineering and management should be framework of many key techniques, which include the following aspects: 1) the molecular level characterisation of petroleum and its fractions; 2) informational description of oil molecule information; 3) the correlation between oil molecule information and reactivity and the establishment of molecular dynamics model; 4) simulation and optimisation to maximise the value of oil resources and assets. Meanwhile, the molecular engineering and management should focus on the simulation and computing techniques, such as molecular type homologous series matrix (MTHS), Monte Carlo, lumping and refactoring of entropy maximum (REM), et al. Many examples of the application in research and production and operations management were also introduced in this paper. [Received: March 16, 2019; Accepted: September 29, 2019]

Keywords: molecular engineering; molecular management; characterisation; molecular database; reaction rule database; dynamic models; simulation and optimisation.

DOI: 10.1504/IJOGCT.2021.112875

International Journal of Oil, Gas and Coal Technology, 2021 Vol.26 No.2, pp.116 - 156

Received: 16 Mar 2019
Accepted: 29 Sep 2019
Published online: 08 Feb 2021 *

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