Pd on nitrogen rich polymer?halloysite nanocomposite as an environmentally benign and sustainable catalyst for hydrogenation of polyalfaolefin based lubricants

被引:51
作者
Karimi, Sahar [1 ]
Bahri-Laleh, Naeimeh [1 ]
Pareras, Gerard [2 ]
Sadjadi, Samahe [3 ]
Nekoomanesh-Haghighi, Mehdi [1 ]
Poater, Albert [4 ,5 ]
机构
[1] Iran Polymer & Petrochem Inst IPPI, Polymerizat Engn Dept, POB 14965-115, Tehran, Iran
[2] Univ Coll Cork, Sch Chem, Coll Rd, Cork, Ireland
[3] Iran Polymer & Petrochem Inst, Fac Petrochem, Gas Convers Dept, POB 14975-112, Tehran, Iran
[4] Univ Girona, Inst Quim Computac & Catalisi, C Maria Aurelia Capmany 69, Girona 17003, Spain
[5] Univ Girona, Dept Quim, C Maria Aurelia Capmany 69, Girona 17003, Spain
关键词
Halloysite; DFT; Hydrofinishing; Catalyst; Diamine; Poly alpha-olefin (PAO); HALLOYSITE CLAY NANOTUBES; ZIEGLER-NATTA CATALYSTS; HETEROGENEOUS CATALYST; COUPLING REACTION; BOND ORDER; BASIS-SETS; FUNCTIONALIZED HALLOYSITE; CORRELATION-ENERGY; EFFICIENT SUPPORT; NANOPARTICLES;
D O I
10.1016/j.jiec.2021.02.031
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Considering the importance of hydrofinishing of poly alpha-olefin oils from the industrial point of view, in this research both computational and experimental studies have been exploited for developing an environmentally benign and sustainable protocol for this process. To this purpose, it was decided to fabricate a novel nanocomposite by using a natural clay, halloysite, and multi-nitrogen containing polymer derived from low cost and available raw-materials. To find the optimum polymeric moiety for conjugating with halloysite, computational study was applied. In this regard and to design a proper support, the combination of 2,4,6-trichloro-1,3,5-triazine with a library containing 9 diamine compounds was taken into account. Computational results revealed the eligibility of propanediamine among the series toward gripping Pd nanoparticles as the catalytic active site. Using these data, the optimum composite was fabricated and palladated. Investigation of the performance of the resulting catalyst approved its excellent activity under very mild reaction conditions and recyclability up to six consecutive runs with insignificant Pd leaching and loss of activity. The results collected from this combined study affirmed that the present protocol is a green and sustainable methodology with potential for large scale applications. (c) 2021 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.
引用
收藏
页码:441 / 451
页数:11
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