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A benzene chain-based contribution method for prediction of physical properties of aromatic compounds
Alternative TitleFluid Phase Equilib.
Jiao, Tiantian1; Zhuang, Xulei2; Li, Chunshan1; Zhang, Suojiang1
2014-01-15
Source PublicationFLUID PHASE EQUILIBRIA
ISSN0378-3812
Volume361Issue:1Pages:60-68
AbstractThe physical properties of aromatic and condensed ring especially polybenzene compounds are severely lacking and difficult to obtain from experiment, while the existing estimation methods are hard to be applied to this system. A new benzene chain-based contribution (BC-C) method is proposed on the basis of the three order group contribution method of Marrero and Gani method in this study, several new groups are defined by considering their benzene chain structure. The boiling point and critical properties are estimated using the BC-C and Joback-Reid methods and their average relative deviation are compared. Through the critical properties estimated by the BC-C method, the liquid densities can be calculated using the Riedel and Yamada-Gunn equations. The calculated data agreed well with the literature data with an overall average absolute relative deviation of less than 10%. The BC-C method provides a new and easy approach for prediction of the physical properties of aromatic compounds through defining of the new groups and receives precise predicted results. (C) 2013 Elsevier B.V. All rights reserved.; The physical properties of aromatic and condensed ring especially polybenzene compounds are severely lacking and difficult to obtain from experiment, while the existing estimation methods are hard to be applied to this system. A new benzene chain-based contribution (BC-C) method is proposed on the basis of the three order group contribution method of Marrero and Gani method in this study, several new groups are defined by considering their benzene chain structure. The boiling point and critical properties are estimated using the BC-C and Joback-Reid methods and their average relative deviation are compared. Through the critical properties estimated by the BC-C method, the liquid densities can be calculated using the Riedel and Yamada-Gunn equations. The calculated data agreed well with the literature data with an overall average absolute relative deviation of less than 10%. The BC-C method provides a new and easy approach for prediction of the physical properties of aromatic compounds through defining of the new groups and receives precise predicted results. (C) 2013 Elsevier B.V. All rights reserved.
KeywordBenzene Chain-based Contribution Method Physical Properties Aromatic Compounds Polybenzene
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.fluid.2013.10.026
URL查看原文
Indexed BySCI
Language英语
WOS KeywordPURE-COMPONENT PROPERTIES ; NONELECTROLYTE ORGANIC-COMPOUNDS ; NORMAL BOILING-POINT ; CRITICAL-TEMPERATURES ; VAPOR-PRESSURE ; FLASH-POINT ; ENTHALPIES ; VOLUME
WOS Research AreaThermodynamics ; Chemistry ; Engineering
WOS SubjectThermodynamics ; Chemistry, Physical ; Engineering, Chemical
WOS IDWOS:000331156700008
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/8034
Collection研究所(批量导入)
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ionic Liquids Clean Proc, Beijing 100190, Peoples R China
2.Qingdao Univ Sci & Technol, Qingdao 266042, Peoples R China
Recommended Citation
GB/T 7714
Jiao, Tiantian,Zhuang, Xulei,Li, Chunshan,et al. A benzene chain-based contribution method for prediction of physical properties of aromatic compounds[J]. FLUID PHASE EQUILIBRIA,2014,361(1):60-68.
APA Jiao, Tiantian,Zhuang, Xulei,Li, Chunshan,&Zhang, Suojiang.(2014).A benzene chain-based contribution method for prediction of physical properties of aromatic compounds.FLUID PHASE EQUILIBRIA,361(1),60-68.
MLA Jiao, Tiantian,et al."A benzene chain-based contribution method for prediction of physical properties of aromatic compounds".FLUID PHASE EQUILIBRIA 361.1(2014):60-68.
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