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Modelling interactions between a PBB and fullerenes |
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| Authors: | Ngamta Thamwattana Thien Tran-Duc Duangkamon Baowan |
| Institution: | 1. School of Mathematics and Applied Statistics, University of Wollongong, Wollongong, NSW, 2522, Australia 2. Department of Mechanical Engineering, Faculty of Engineering, National University of Singapore, Singapore, 119077, Singapore 3. Department of Mathematics, Faculty of Science, Mahidol University, Rama VI Rd., Bangkok, 10400, Thailand |
| Abstract: | Fullerenes have many uses including in medical and electronic nanodevices. High pressure liquid chromatography (HPLC) columns are generally used to extract a certain structure of fullerne from a mixture of them. In this paper, we investigate the interactions between various types of fullerenes and a station phase in HPLC known as pentabromobenzyl (PBB). The Lennard-Jones potential and a continuum approach are employed to determine the van der Waals energy of these interactions within the HPLC columns. The equilibrium configurations for any given distance between a fullerene and the centre of a PBB are obtained. Results of this study may assist the design of a chromatography column for fullerene separation. |
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