Estimating Hansen solubility parameters of organic pigments by group contribution methods
文献类型：期刊论文
| 作者 | Enekvist, Markus1,2,3; Liang, Xiaodong3; Zhang, Xiangping4; Dam-Johansen, Kim2; Kontogeorgis, Georgios M.2,3 |
| 刊名 | CHINESE JOURNAL OF CHEMICAL ENGINEERING
 |
| 出版日期 | 2021-03-01 |
| 卷号 | 31页码:186-197 |
| ISSN号 | 1004-9541 |
| 关键词 | Hansen solubility parameters Group contribution method Organic pigments Computer-aided product design Parameter estimation Uncertainty analysis |
| DOI | 10.1016/j.cjche.2020.12.013 |
| 英文摘要 | The Hansen solubility parameters (HSP) are frequently used for solvent selection and characterization of polymers, and are directly related to the suspension behavior of pigments in solvent mixtures. The performance of currently available group contribution (GC) methods for HSP were evaluated and found to be insufficient for computer-aided product design (CAPD) of paints and coatings. A revised and, for this purpose, improved GC method is presented for estimating HSP of organic compounds, intended for organic pigments. Due to the significant limitations of GC methods, an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach. Compared to other applicable GC methods, the prediction error is reduced significantly with average absolute errors of 0.45 MPa1/2, 1.35 MPa1/2, and 1.09 MPa1/2 for the partial dispersion (delta(D)), polar (delta(P)) and hydrogen-bonding (delta(H)) solubility parameters respectively for a database of 1106 compounds. The performance for organic pigments is comparable to the overall method performance, with higher average errors for delta(D) and lower average errors for delta(P) and delta(H). (C) 2020 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved. |
| WOS关键词 | DESIGN ; MODELS |
| 资助项目 | Sino-Danish Center for Education and Research (SDC) ; Hempel Foundation ; Hempel A/S |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| 出版者 | CHEMICAL INDUSTRY PRESS CO LTD |
| WOS记录号 | WOS:000651052400021 |
| 资助机构 | Sino-Danish Center for Education and Research (SDC) ; Hempel Foundation ; Hempel A/S |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/48895]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Kontogeorgis, Georgios M. |
| 作者单位 | 1.Univ Chinese Acad Sci, Sino Danish Ctr Educ & Res SDC, IPE, Beijing 100049, Peoples R China 2.Tech Univ Denmark, Hempel Fdn Coatings Sci & Technol Ctr CoaST, Dept Chem & Biochem Engn, Bldg 229,Soltofts Pl 229, DK-2800 Lyngby, Denmark 3.Tech Univ Denmark, Ctr Energy Resources Engn CERE, Dept Chem & Biochem Engn, Bldg 229,Soltofts Pl 229, DK-2800 Lyngby, Denmark 4.Chinese Acad Sci, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc, CAS Key Lab Green Proc & Engn,State Key Lab Multi, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Enekvist, Markus,Liang, Xiaodong,Zhang, Xiangping,et al. Estimating Hansen solubility parameters of organic pigments by group contribution methods[J]. CHINESE JOURNAL OF CHEMICAL ENGINEERING,2021,31:186-197. |
| APA | Enekvist, Markus,Liang, Xiaodong,Zhang, Xiangping,Dam-Johansen, Kim,&Kontogeorgis, Georgios M..(2021).Estimating Hansen solubility parameters of organic pigments by group contribution methods.CHINESE JOURNAL OF CHEMICAL ENGINEERING,31,186-197. |
| MLA | Enekvist, Markus,et al."Estimating Hansen solubility parameters of organic pigments by group contribution methods".CHINESE JOURNAL OF CHEMICAL ENGINEERING 31(2021):186-197. |
入库方式： OAI收割
来源：过程工程研究所
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