Density-functional approximations on CO2@sI clathrate hydrate interactions

30th International Conference on Photonic, Electronic, and Atomic Collisions

Arismendi-Arrieta, Daniel J.^1 ; Valdés, Álvaro^2 ; Prosmiti, Rita^1

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

28006, Spain^1

Departamento de Física, Universidad Nacional de Colombia, Calle 26, Cra 39, Edificio 404, Bogotá, Colombia^2

关键词: Clathrate hydrate;    Density functional approximations;    Engineering disciplines;    Physical and chemical properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/875/12/112015/pdf
DOI  :  10.1088/1742-6596/875/12/112015

来源: IOP

【 摘 要 】

Clathrate hydrates have unique physical and chemical properties and considering that the stability of such systems is strongly related with its guest. In the last decades a renewed interest on these substances have grown up due to their potential industrial applications, with gas hydrate research becoming a joint field of various engineering disciplines and fundamental sciences.