| Title |
Molecular dynamics study of energetic characteristics of evaporating, condensing and reflecting molecules at the liquid-vapour interface / |
| Translation of Title |
Išgaruojančių, besikondensuojančių ir atsispindinčių molekulių energetinių charakteristikų skysčio-garų tarpfaziniame sluoksnyje tyrimas molekulinės dinamikos metodu. |
| Authors |
Skarbalius, Gediminas |
| Full Text |
|
| Pages |
130 |
| Keywords [eng] |
molecular dynamics ; evaporation ; condensation ; liquid-vapour interface |
| Abstract [eng] |
Understanding evaporation/condensation processes at the nanoscale is crucial for the development of micro- and nanoflow technologies. However, experimental assessment of these processes remains challenging due to the difficulty in measuring the specific process conditions in the Knudsen layer adjacent to the evaporating/condensing liquid surface. In this thesis, the evaporation/condensation processes in the Knudsen layer were studied using the molecular dynamics simulation method, which allows to evaluate these processes at the molecular level and to calculate the process coefficients directly from the molecular fluxes crossing the liquid-vapor interface. From the molecular dynamics simulations, the dependence of the water condensation coefficient on the energy of the condensing vapour molecules was evaluated and the energy characteristics of the water molecules crossing the interface layer were determined. Also, in order to specify the molecular dynamics modeling methodology of evaporation/condensation processes, a study of the influence of the selected temperature control strategy on the evaporation into a virtual vacuum simulations results was carried out. |
| Dissertation Institution |
Lietuvos energetikos institutas. |
| Type |
Doctoral thesis |
| Language |
English |
| Publication date |
2024 |
