Gediminas Skarbalius “Molecular dynamics study of energetic characteristics of evaporating, condensing and reflecting molecules at the liquid-vapour interface” doctoral dissertation defense

Author, Institution: Gediminas Skarbalius, Lithuanian Energy Institute

Dissertation title: Molecular dynamics study of energetic characteristics of evaporating, condensing and reflecting molecules at the liquid-vapour interface

Science area, field of science: Technological Sciences, Energetics and Power Engineering, T006.

Defense of the dissertation: 2024-04-18, 10:00 a.m., Lithuanian Energy Institute, AK-202 auditorium, Breslaujos st. 3, Kaunas, Lithuania.

Scientific Supervisor: Dr. Algis Džiugys (Lithuanian Energy Institute, Technological Sciences, Energetics and Power Engineering T 006).

Dissertation Defense Board of Energetics and Power Engineering Science Field:

• Chairperson – Prof. Dr. Hab. Algirdas Kaliatka (Lithuanian Energy Institute, Technological Sciences, Energetics and Power Engineering, T006)
• Assoc. Prof. Dr. Alytis Gruodis (Vilnius University, Natural Sciences, Physics, N002)
• Prof. Dr. Hab. Gintautas Miliauskas (Kaunas University of Technology, Technological Sciences, Energetics and Power Engineering, T006)
• Assoc. Prof. Dr. Veerapandian Ponnuchamy (Eindhoven University of Technology, Netherlands, Natural Sciences, Physics, N002)
• Dr. Mantas Povilaitis (Lithuanian Energy Institute, Technological Sciences, Energetics and Power Engineering, T006)

The doctoral dissertation is available on the www.ktu.edu and at the library of Kaunas University of Technology (K. Donelaičio g. 20, Kaunas) and at Lithuanian Energy Institute (Breslaujos g. 3, Kaunas).

Annotation
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 modelling methodology of evaporation/condensation processes, a study of the impact of the temperature control strategy in steady-state virtual vacuum simulation on the spontaneous evaporation rate and corresponding evaporation coefficient was performed.