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首页» 过刊浏览» 2016» Vol. 1» Issue (2) 270-278     DOI : 10.3969/j.issn.2096-1693.2016.02.022
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炼化分子管理技术:概念与理论基础
史权,张霖宙,赵锁奇,徐春明
中国石油大学(北京) 重质油国家重点实验室,北京 102249
Molecular management for petroleum refining: Concepts and fundamentals
SHI Quan, ZHANG Linzhou, ZHAO Suoqi, XU Chunming
State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing 102249, China

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摘要  基于对石油加工原料、产品性质和转化过程在分子水平上的深入认识,优化石油加工过程的原料组合,在分子尺度上对石油加工过程进行模拟和调控,实现生产过程的分子管理(Molecular Management),是当前石油加工技术开发的发展方向。本文讨论了石油加工分子管理的概念,介绍了分子管理技术的几个基础理论问题,包括分子组成的实验分析、分子组成的模型化、分子层次反应网络构建及求解方法;简要介绍了分子管理技术的发展历史和技术现状;讨论了分子管理的发展定位、技术路线,最后根据实验分析技术和计算机运算能力的发展趋势对分子管理技术的发展前景进行了展望。
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关键词 : 炼化优化; 分子管理; 分子炼油; 石油组学
Abstract

  The development of high resolution mass spectrometry as well as other analytical techniques in the past decade enable the better characterization of complex chemical constituents of petroleum. This spawned a field which contemplates the relationship between the molecular composition of a petroleum feedstock and its properties and reactivity. Recently, “molecular refining” and “molecular management” were proposed and extensively discussed for designing and optimizing petroleum processing operations at the molecular level. Molecular refining involves the implementation of petroleomics in the downstream petroleum industry, whereas molecular management is the technical implementation of the idea of molecular refining. We define molecular management as the integrated technology solutions for beneficiating of the whole petroleum refining process based on the understanding of chemical composition at the molecular level. Molecular management techniques involve: (a) characterization and understanding of petroleum chemical composition at the molecular level; (b) revealing the correlation between molecular composition and physical properties of petroleum and its fractions/products; (c) predicting and controlling the destination and distribution of molecules in the blending and separation processes; (d) understanding the conversion mechanisms of the chemical refining processes; (e) realizing the modeling of molecular composition and process simulation and (f) applying the molecular composition based theoretical models to decision-making optimization, supply chain network optimization, and operation optimization throughout the entire the petroleum refining process. Three fundamental issues are introduced for the development of molecular management techniques: (1) the composition characterization based on instrumental analysis; (2) modeling of molecular composition and physical property prediction; (3) reaction network establishment and reaction kinetic parameters solution. Although significant progress has been achieved in the past decade in instrumental analysis, the compositional information from experiments still cannot completely meet the requirements of modeling development. The resolving power of mass spectrometry for heavy petroleum fractions and the ability to distinguish structural information of molecular isomers are the major challenges in the near future. For this reason, a molecule-based pseudo-component techniques a pragmatic approach to represent the feedstocks and products in petroleum refining process models. The modeling of molecular composition is critical for molecular management. Recently, physical property predication models have been successfully used for most petroleum fractions. One of the most significant challenges is to develop reaction models that include thousands of molecular components. More effort should be focused on the methodology and development of software tools for the automated construction, solution and optimization of detailed kinetic models. A brief overview of the development of the molecular management in petroleum refining and its prospects are also discussed.

Key words: refining optimization ; molecular management ; molecular refining ; petroleomics
收稿日期: 2018-05-30     
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史权,张霖宙,赵锁奇,徐春明. 炼化分子管理技术:概念与理论基础[J]. 石油科学通报, 2016, 1(2): 270-278. SHI Quan, ZHANG Linzhou, ZHAO Suoqi, XU Chunming. Molecular management for petroleum refining: Concepts and fundamentals. 石油科学通报, 2016, 1(2): 270-278.
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