Modeling the water-halide ion interactions

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

Arismendi-Arrieta, D.J.^1 ; Prosmiti, R.^1 ; Paesani, F.^2

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

28006, Spain^1

Department of Chemistry and Biochemistry, University of California, San Diego, San Diego

CA

92093, United States^2

关键词: Aerosol particles;    Dynamical properties;    Hydrogen bond networks;    Ion interactions;    Keypoints;    Molecular levels;    Solvation mechanism;    Specific ion effects;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/3/032009/pdf
DOI  :  10.1088/1742-6596/635/3/032009

来源: IOP

【 摘 要 】

Ions play an important role in many heterogeneous processes, and understanding specific ion effects is a key point in studying solvation mechanisms in liquids as well as reactivity of aerosol particles. In this regard, a crucial issue to be resolved is the extent to which ions influence the structural and dynamical properties of the surrounding hydrogen bond network and, at the same time, to provide a direct molecular-level interpretation of the experimental measurements.