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Sahar Karimi,Naeimeh Bahri-Laleh,Gerard Pareras,Samahe Sadjadi,Mehdi Nekoomanesh-Haghighi,Albert Poater 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.97 No.-
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 anenvironmentally benign and sustainable protocol for this process. To this purpose, it was decided tofabricate a novel nanocomposite by using a natural clay, halloysite, and multi-nitrogen containingpolymer derived from low cost and available raw-materials. Tofind the optimum polymeric moiety forconjugating with halloysite, computational study was applied. In this regard and to design a propersupport, the combination of 2,4,6-trichloro-1,3,5-triazine with a library containing 9 diamine compoundswas taken into account. Computational results revealed the eligibility of propanediamine among theseries toward gripping Pd nanoparticles as the catalytic active site. Using these data, the optimumcomposite was fabricated and palladated. Investigation of the performance of the resulting catalystapproved its excellent activity under very mild reaction conditions and recyclability up to six consecutiveruns with insignificant Pd leaching and loss of activity. The results collected from this combined studyaffirmed that the present protocol is a green and sustainable methodology with potential for large scaleapplications.