A benzene chain-based contribution method for prediction of physical properties of aromatic compounds
文献类型：期刊论文
| 作者 | Jiao, Tiantian1; Zhuang, Xulei2; Li, Chunshan1; Zhang, Suojiang1 |
| 刊名 | FLUID PHASE EQUILIBRIA
 |
| 出版日期 | 2014-01-15 |
| 卷号 | 361期号:1页码:60-68 |
| 关键词 | Benzene chain-based contribution method Physical properties Aromatic compounds Polybenzene |
| ISSN号 | 0378-3812 |
| 其他题名 | Fluid Phase Equilib. |
| 中文摘要 | 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. |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Thermodynamics ; Chemistry, Physical ; Engineering, Chemical |
| 研究领域[WOS] | Thermodynamics ; Chemistry ; Engineering |
| 关键词[WOS] | PURE-COMPONENT PROPERTIES ; NONELECTROLYTE ORGANIC-COMPOUNDS ; NORMAL BOILING-POINT ; CRITICAL-TEMPERATURES ; VAPOR-PRESSURE ; FLASH-POINT ; ENTHALPIES ; VOLUME |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000331156700008 |
| 公开日期 | 2014-05-06 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/8034]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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