Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater
文献类型：期刊论文
| 作者 | Xu, Ran2,3; Zhao, Yue-Hong1,2,3; Han, Qing-Zhen1,2; Ning, Peng-Ge2; Cao, Hong-Bin2; Wen, Hao1,2 |
| 刊名 | JOURNAL OF CLEANER PRODUCTION
 |
| 出版日期 | 2020-12-20 |
| 卷号 | 277页码:13 |
| ISSN号 | 0959-6526 |
| 关键词 | Computer aided molecular design Blended extractant Co-extraction Coal chemical wastewater Design and screen |
| DOI | 10.1016/j.jclepro.2020.122334 |
| 英文摘要 | An innovative design and screening methodology of blended extractants was proposed, for co-extracting phenolic, polycyclic aromatic hydrocarbons (PAHs) and nitrogen heterocyclic compounds (NHCs) pollutants from coal chemical wastewater. The methodology includes two major issues, generating single-component candidate extractants and screening optimal binary extractants. In this work, two singlecomponent extractant candidate sets, which present the potential to be good extractants of phenolic and PAHs/NHCs pollutants respectively, were generated by data searching of the Existing Commercial Compound Database (ECCD). The binary extractant candidate set was generated by traversal inter-combination between these two single-component candidate sets. To screen the target blended extractants from the generated candidates, a series of non-linear programming (NLP) models were set up and solved via special tailored strategy. Pseudo-component was introduced to represent various pollutants in coal chemical wastewater which reducing the size and complexity of NLP problems. Miscibility constraints of blended extractants and grid parallel computing method were adopted to reduce the time cost. Case study showed that the selected binary extractants can achieve co-extracting phenolic and PAHs/NHCs pollutants. It will benefit the sustainable development of coal chemical industry in China. (C) 2020 Elsevier Ltd. All rights reserved. |
| WOS关键词 | LIQUID-LIQUID EQUILIBRIA ; MOLECULAR DESIGN ; OPTIMIZATION APPROACH ; SOLVENT SELECTION ; RECOVERY PROCESS ; PLANT ; GENERATION ; MIXTURES ; REMOVAL ; KETONE |
| 资助项目 | National water pollution control, control scientific and technological special project[2017ZX07402001] ; Natural Science Foundation of China[2156112001] ; National Scientific Data Sharing Service Project[DKA2017-12-02-05] |
| WOS研究方向 | Science & Technology - Other Topics ; Engineering ; Environmental Sciences & Ecology |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCI LTD |
| WOS记录号 | WOS:000586917600006 |
| 资助机构 | National water pollution control, control scientific and technological special project ; Natural Science Foundation of China ; National Scientific Data Sharing Service Project |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/42661]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Zhao, Yue-Hong |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, 1,2nd North St, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Div Environm Technol & Engn, 1,2nd North St, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Ran,Zhao, Yue-Hong,Han, Qing-Zhen,et al. Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater[J]. JOURNAL OF CLEANER PRODUCTION,2020,277:13. |
| APA | Xu, Ran,Zhao, Yue-Hong,Han, Qing-Zhen,Ning, Peng-Ge,Cao, Hong-Bin,&Wen, Hao.(2020).Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater.JOURNAL OF CLEANER PRODUCTION,277,13. |
| MLA | Xu, Ran,et al."Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater".JOURNAL OF CLEANER PRODUCTION 277(2020):13. |
入库方式： OAI收割
来源：过程工程研究所
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