Prediction of crude oil physical properties based on molecular compositional modeling approach

IF 3.5 3区 工程技术 Q3 ENERGY & FUELS Energy Science & Engineering Pub Date : 2024-08-05 DOI:10.1002/ese3.1836
Chen Sihang, Li Qifu, Yan Feng, Xu Bo, Mo Linlin, Huo Lianfeng, Wang Yubin, Jiang Luxin
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Abstract

In this study, the Structural Units-Bonding Matrix will be introduced into the crude oil characteristics analysis, specifically engineered to depict the molecular intricacies of petroleum substances. This methodology synergizes the bonding matrix with structural units, assigning the bonding matrix to the foundational layer, while the structural units adorn the surface layer. Through meticulous analysis of crude oil data, this study identified the core and branched molecular constituents of crude oil, facilitating the digital articulation of these molecules. Leveraging this foundational work, this study developed composition models for five quintessential types of crude oil, enabling the precise prognostication of their macroscopic physical properties. Further, by evaluating the viscosity-temperature characteristics of these selected crude oils, this study established a predictive model for the viscosity–temperature relationship of crude oils, grounded in the quantitative structure–property relationship method. This approach not only augments this study understanding of crude oil molecular composition but also enhances the predictive accuracy of their physical properties, heralding a significant advancement in the field of petroleum molecular science.

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基于分子成分建模方法的原油物理性质预测
本研究将在原油特性分析中引入 "结构单元-键合矩阵",专门用于描述石油物质分子的复杂性。这种方法将键合矩阵与结构单元协同作用,将键合矩阵分配到基础层,而结构单元则装饰表层。通过对原油数据的细致分析,这项研究确定了原油的核心和支链分子成分,从而促进了这些分子的数字化衔接。利用这项基础性工作,本研究开发了五种典型原油的成分模型,从而能够精确预测其宏观物理性质。此外,通过评估这些选定原油的粘度-温度特性,本研究以定量结构-性质关系法为基础,建立了原油粘度-温度关系预测模型。这种方法不仅加深了本研究对原油分子组成的理解,还提高了对原油物理性质的预测准确性,预示着石油分子科学领域的重大进展。
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来源期刊
Energy Science & Engineering
Energy Science & Engineering Engineering-Safety, Risk, Reliability and Quality
CiteScore
6.80
自引率
7.90%
发文量
298
审稿时长
11 weeks
期刊介绍: Energy Science & Engineering is a peer reviewed, open access journal dedicated to fundamental and applied research on energy and supply and use. Published as a co-operative venture of Wiley and SCI (Society of Chemical Industry), the journal offers authors a fast route to publication and the ability to share their research with the widest possible audience of scientists, professionals and other interested people across the globe. Securing an affordable and low carbon energy supply is a critical challenge of the 21st century and the solutions will require collaboration between scientists and engineers worldwide. This new journal aims to facilitate collaboration and spark innovation in energy research and development. Due to the importance of this topic to society and economic development the journal will give priority to quality research papers that are accessible to a broad readership and discuss sustainable, state-of-the art approaches to shaping the future of energy. This multidisciplinary journal will appeal to all researchers and professionals working in any area of energy in academia, industry or government, including scientists, engineers, consultants, policy-makers, government officials, economists and corporate organisations.
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