Chen Sihang, Li Qifu, Yan Feng, Xu Bo, Mo Linlin, Huo Lianfeng, Wang Yubin, Jiang Luxin
{"title":"Prediction of crude oil physical properties based on molecular compositional modeling approach","authors":"Chen Sihang, Li Qifu, Yan Feng, Xu Bo, Mo Linlin, Huo Lianfeng, Wang Yubin, Jiang Luxin","doi":"10.1002/ese3.1836","DOIUrl":null,"url":null,"abstract":"<p>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.</p>","PeriodicalId":11673,"journal":{"name":"Energy Science & Engineering","volume":"12 9","pages":"3730-3742"},"PeriodicalIF":3.5000,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ese3.1836","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Energy Science & Engineering","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/ese3.1836","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
引用次数: 0
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.
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.