Duangkamon BaowanWisit SukchomKittisak ChayantrakomPairote SatiracooMahidol UniversitySouth Carolina Commission on Higher Education2018-05-032018-05-032011-09-16Journal of Nanomaterials. Vol.2011, (2011)16874129168741102-s2.0-80052672283https://repository.li.mahidol.ac.th/handle/20.500.14594/12108Titanium dioxide nanoparticle (TiO 2 -NP) is widely used in manufactured nanomaterials such as sunscreens, cosmetics, drugs, and some food products. It can be encapsulated in a single-walled carbon nanotube (SWNT) depending on their physical and chemical interactions. On applying the Lennard-Jones potential function and the continuous approximation, we determine three encapsulation mechanisms for spherical shape TiO 2 -NP entering a tube: (i) head-on at the tube open end, (ii) around the edge of the tube open end, and (iii) through a defect opening on the tube wall. The total potential energy of the system is obtained as an exact expression by performing double surface integrals. We find that the TiO 2 -NP is most (least) likely to be encapsulated into a SWNT by head-on configuration (around the edge of the tube open end). This encapsulation procedure is a potential application for targeted drug delivery. For convenience, throughout this analysis all configurations are assumed to be in vacuum and the TiO 2 -NP is initially at rest. © 2011 Wisit Sukchom et al.Mahidol UniversityMaterials ScienceArticleSCOPUS10.1155/2011/857864