Unusual flexibility of mesophase pitch-derived carbon materials: An approach to the synthesis of graphene

Autor: Barreda, D., Pérez-Mas, A.M., Silvestre-Albero, A., Casco, M.E., Rudić, S., Herdes, C., Müller, E.A., Blanco, C., Santamaria, R., Silvestre-Albero, J., Rodríguez-Reinoso, F.

Publikováno v: In Carbon May 2017 115:539-545

New insights into the adsorption isotherm interpretation by a coupled molecular simulation—experimental procedure

Autor: Sánchez-Montero, M.J., Herdes, C., Salvador, F., Vega, L.F. ^*

Publikováno v: In Applied Surface Science 2005 252(3):519-528

Group-contribution coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT-γ force field

Autor: Jimenez-serratos, M, Herdes, C, Haslam, A, Jackson, G, Muller, EA

Publikováno v: Jiménez-Serratos, G, Herdes, C, Haslam, A J, Jackson, G & Müller, E A 2017, ' Group-contribution coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT-γ force field ', Macromolecules, vol. 50, no. 12, ma-2016-02072v, pp. 4840-4853 . https://doi.org/10.1021/acs.macromol.6b02072

A coarse-grained (CG) model for atactic polystyrene is presented and studied with classical molecular-dynamics simulations. The interactions between the CG segments are described by Mie potentials, with parameters obtained from a top-down approach us

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::05c8278e13f8b8f4e421c1d3e240498a
https://purehost.bath.ac.uk/ws/files/155841541/ps_solvents_15_05_17_v1.pdf

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