Petroleum molecular engineering database and process simulation platform

CHEN Zhengyu; ZHANG Linzhou; QUAN Shi; XU Chunming

doi:10.11949/0438-1157.20260577

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Petroleum molecular engineering database and process simulation platform

更新时间：2026-06-29

- Petroleum molecular engineering database and process simulation platform
- CIESC Journal (2026)
- 作者机构：
  
  1.中国石油大学（北京）重质油全国重点实验室分子工程中心，北京 102249
  2.中国石油大学（北京）未来能源学院，北京 102249
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260577
  CLC： TE 624
- Received：22 April 2026，
  
  Revised：2026-06-28，
  
  Accepted：29 June 2026，
- 稿件说明：
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CHEN Zhengyu, ZHANG Linzhou, QUAN Shi, et al. Petroleum molecular engineering database and process simulation platform[J/OL]. CIESC Journal, 2026.
DOI：

CHEN Zhengyu, ZHANG Linzhou, QUAN Shi, et al. Petroleum molecular engineering database and process simulation platform[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260577.

摘要

石油加工过程正由高碳排的油品生产模式向高值化、精细化、低碳化和智能化转型，传统基于宏观性质表征和集总模型的研究方法已难以满足转型升级中对精准认知与过程优化的需求。针对复杂石油分子组成认识难和模型构建难的双重挑战，重质油全国重点实验室分子工程中心整合过去20余年的基础研究成果，构建了石油分子工程数据库及过程模拟平台，形成了涵盖石油分子评价平台、石油分子信息数据库和分子级过程模拟平台的一体化解决方案。该平台将分析仪器、分析方法、数据库、动力学/热力学基础模块以及工业软件模块统筹集成，实现了从基础研究到工业应用的贯通式研发。本文系统评述了该平台的发展背景、整体架构、关键技术及其在工业分子级过程模拟与优化中的应用。相关研究表明，该平台的构建为推动石油分子工程理念落地提供了关键的分析方法、数据与模型支撑。

Abstract

Petroleum refining is undergoing a transition from conventional high-carbon fuel production toward high-value

low-carbon

and intelligent processing. Conventional research methods based on bulk-property characterization and lumped models are increasingly unable to match the demands for precise characterization

simulation

and optimization in modern refining. To address the challenges of molecular-level characterization and modeling for complex petroleum molecular systems

the Petroleum Molecular Engineering Center (PMEC) of the State Key Laboratory of Heavy Oil Processing integrated over two decades of fundamental research into a petroleum molecular engineering database and process simulation platform. There are three major components in this platform

including a petroleum molecular evaluation platform

a petroleum molecular information database

and a molecular-level process simulation platform. The platform integrated analytical instruments

analytical methods

databases

kinetic/thermodynamic models

and industrial software

achieving end-to-end R&D from basic research to industrial practices. This work systematically summarizes the development background

overall framework

key technologies

and their industrial applications in the molecular-level process simulation and optimization. The platform provides a critical analytical method

data

and model foundation for the implementation of petroleum molecular engineering.

关键词

Keywords

references

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