20.500.12556/RUL-171756 Statistično-mehaničen dvodimenzionalni model solvatacije ter dinamičnih lastnosti vode Statistical mechanical two-dimensional model of solvation and dynamic properties of water S statistično mehaniko izotermno-izobarnega ansambla in enostavnim dvodimenzionalnim Mercedes-Benz (MB) modelom vode smo izračunali in ocenili termodinamične lastnosti vode za različne temperature in tlake z analitičnimi metodami. Obravnavali smo tudi solvatacijo hidrofobnih topljencev v MB vodi z metodo, ki so jo predlagali Lukšič in sodelavci. Z MB modelom smo obravnavali tudi dinamične lastnosti kot so difuzija, viskoznost in termična prevodnost. Kljub enostavnosti modela ta proizvede dobra ujemanja fizikalnih lastnosti z realno vodo. We calculated and estimated the thermodynamic properties of water analytically on a range of temperatures and pressures with statistical mechanics of the isothermal-isobaric ensemble and the simple two-dimensional Mercedes-Benz (MB) model of water. We analysed the solvation of hydrophobic solutes in MB water with a method proposed by Lukšič et al. We also calculated the diffusion coefficient of water, viscosity and subsequently its thermal conductivity at different conditions with the MB model. Despite the model’s simplicity, it generates impressive trends of physical properties resembling real water. statistična mehanika Mercedes-Benz model vode solvatacija difuzija statistical mechanics Mercedes-Benz model of water solvation diffusion true false false Slovenski jezik Angleški jezik Diplomsko delo/naloga 2025-09-01 14:15:00 2025-09-01 14:15:03 2025-10-03 12:27:22 0000-00-00 00:00:00 2025 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 25550 251663107 Kokelj_Nace_-_Statisticno_mehanski_model_vode.pdf Kokelj_Nace_-_Statisticno_mehanski_model_vode.pdf 1 EAF9935E934C3BB1D900C3C8BBDFB8F4 eaf193ef83c68872f4d9518f6acabab5169c9434717d015e35947ddf3fbad722 265c0652-872d-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=215157 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0