Properties of water and argon clusters developed in supersonic expansions

0575796 - ÚT 2024 RIV US eng J - Článek v odborném periodiku
Klíma, M. - Celný, David - Janek, J. - Kolafa, J.
Properties of water and argon clusters developed in supersonic expansions.
Journal of Chemical Physics. Roč. 159, č. 12 (2023), č. článku 124302. ISSN 0021-9606. E-ISSN 1089-7690
Grant CEP: GA ČR(CZ) GA22-28869S
Grant ostatní: NVIDIA Corporation(US) A2_FCHI_2022_017
Institucionální podpora: RVO:61388998
Klíčová slova: molecular-dynamics simulations * supercritical solutions ress * homogeneous nucleation * rapid expansion * particle formation
Obor OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impakt faktor: 4.4, rok: 2022
Způsob publikování: Open access
https://pubs.aip.org/aip/jcp/article/159/12/124302/2912115/Properties-of-water-and-argon-clusters-developed

Using adiabatic molecular dynamics coupled with the fluid dynamics equations, we model nucleation in an expanding beam of water vapor and argon on a microsecond scale. The size distribution of clusters, their temperature, and pickup cross sections in dependence on velocity are investigated and compared to the geometric cross sections and the experiment. The clusters are warmer than the expanding gas because of the time scale of relaxation processes. We also suggest that their translational and rotational kinetic energies are modified due to evaporative cooling. The pickup cross sections determined for the final clusters using molecules of the same kind increase with decreasing velocity, still obeying the (a+bN1/3)2 law.
Trvalý link: https://hdl.handle.net/11104/0347807