Computer-aided design and solvent selection for organic paint and coating formulations
文献类型：期刊论文
| 作者 | Enekvist, Markus1,2,3; Liang, Xiaodong3; Zhang, Xiangping4; Dam-Johansen, Kim2; Kontogeorgis, Georgios M.3 |
| 刊名 | PROGRESS IN ORGANIC COATINGS
 |
| 出版日期 | 2022 |
| 卷号 | 162页码:13 |
| ISSN号 | 0300-9440 |
| 关键词 | Computer-aided product design Solvent selection Organic coatings Group contribution methods |
| DOI | 10.1016/j.porgcoat.2021.106568 |
| 英文摘要 | A methodology for product design of organic coatings is developed to help a formulator screen, modify, or design a paint formulation according to the desired functionality. The computer-aided product design (CAPD) method aims to improve and expand the current state of computer-aided coating formulation through a combination of databases and models capable of estimating various physicochemical properties. Additional paint-specific component interactions are considered, and new properties and estimation methods are included that better suit modern environmental, health, and safety-related considerations in the product design of paints. This work aims to provide a clear description of all property models, estimation methods, tools, and software used throughout the systematic framework. The solvent selection methodology is tested for several commercial paint formulations, using the original solvent mixtures to verify the results, while providing formulation alternatives to guide further experimental testing. For investigated case studies, the methodology provides both viable formulations and solvent selection alternatives. The suggested options can be used to retain key functionalities while lowering cost, substituting unwanted ingredients, or improving factors including health and safety, as indicated by lethal concentration, flash points, and biodegradability. |
| WOS关键词 | HANSEN SOLUBILITY PARAMETERS ; CONNECTIVITY INDEX ; PROPERTY MODELS ; PRODUCT DESIGN ; METHODOLOGY ; PREDICTION |
| 资助项目 | Sino-Danish Center for Education and Research (SDC) ; Hempel Foundation ; Hempel A/S |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| WOS记录号 | WOS:000714143400003 |
| 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/122111/51180]  |
| 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.UCAS, Sino Danish Ctr SDC, Beijing, Peoples R China 2.Tech Univ Denmark, Dept Chem & Biochem Engn, CoaST, Bldg 229,Soltofts Plads 229, DK-2800 Lyngby, Denmark 3.Tech Univ Denmark, Dept Chem & Biochem Engn, CERE, Bldg 229,Soltofts Plads 229, DK-2800 Lyngby, Denmark 4.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, CAS Key Lab Green Proc & Engn,Beijing Key Lab Ion, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Enekvist, Markus,Liang, Xiaodong,Zhang, Xiangping,et al. Computer-aided design and solvent selection for organic paint and coating formulations[J]. PROGRESS IN ORGANIC COATINGS,2022,162:13. |
| APA | Enekvist, Markus,Liang, Xiaodong,Zhang, Xiangping,Dam-Johansen, Kim,&Kontogeorgis, Georgios M..(2022).Computer-aided design and solvent selection for organic paint and coating formulations.PROGRESS IN ORGANIC COATINGS,162,13. |
| MLA | Enekvist, Markus,et al."Computer-aided design and solvent selection for organic paint and coating formulations".PROGRESS IN ORGANIC COATINGS 162(2022):13. |
入库方式： OAI收割
来源：过程工程研究所
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