Structural changes in water and Ar-water clusters under high pressure

29th International Conference on Photonic, Electronic, and Atomic Collisions

Prosmiti, R.^1 ; Vítek, A.^2 ; Arismendi-Arrieta, D.J.^1 ; Rodriguez-Cantano, R.^1 ; Villarreal, P.^1 ; Kalus, R.^2 ; Delgado-Barrio, G.^1

Institute of Fundamental Physics, IFF-CSIC, Serrano 123, Madrid

28006, Spain^1

IT4Innovations National Supercomputing Center, Department of Applied Mathematics, VSB-Technical University of Ostrava, Ostrava

70833, Czech Republic^2

关键词: Clathrate hydrate;    Gas-water;    High pressure;    Inclusion compounds;    Intermolecular potentials;    Thermodynamic conditions;    Water cluster;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/3/032008/pdf
DOI  :  10.1088/1742-6596/635/3/032008

来源: IOP

【 摘 要 】

Specific size gas-water clusters are currently receiving considerable attention, as models for inclusion compounds of different type of clathrate hydrates. As model microsolutions they retain many characteristics of the bulk, are theoretically tractable, and can be used to probe the relevant guest/host interactions, as well as to derive and to test intermolecular potentials that can be also used under different thermodynamic conditions.