20.500.12556/RUL-129960 Monte Carlo simulacije mehkih delcev Monte Carlo simulations of soft particles Z izrazom »mehka snov« mislimo na snovi, kot so koloidi, tekoči kristali, surfaktanti, polimeri itd. Lastnosti nekaterih od teh sistemov je mogoče modelirati s pomočjo Gaussovega potenciala. V tem diplomskem delu bomo predstavili rezultate, dobljene po modelu Gaussove sredice (angl. the Gaussian-core model, GCM). V ta namen smo izvedli obsežne Monte Carlo simulacije v kanoničnem (izohorno-izotermnem) – NVT in izotermno-izobarnem – NpT ansamblu ter opravili analizo termodinamičnih in strukturnih lastnosti za posamezni ansambel. The term »soft substance« refers to substances such as colloids, liquid crystals, surfactants, polymers, etc. The properties of some of these systems can be modelled using the Gaussian potential. In this work, we will present the results obtained according to the Gaussian-core model (GCM). For this purpose, we performed extensive Monte Carlo simulations in the canonical (isochoric-isothermal) – NVT and isothermal-isobaric – NpT ensemble and made an analysis of thermodynamic and structural properties for each ensemble. računalniška simulacija Monte Carlo mehki delci model Gaussove sredice ansambel termodinamične in strukturne lastnosti Monte Carlo simulations soft particles the Gaussian-core model ensemble thermodynamic and structural properties true false false Slovenski jezik Angleški jezik Diplomsko delo/naloga 2021-09-09 14:05:00 2021-09-09 14:05:02 2022-09-09 04:14:07 0000-00-00 00:00:00 2021 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 15641 82765571 Prelog_Jaka_-_Monte_Carlo_simulacije_mehkih_delcev.pdf Prelog_Jaka_-_Monte_Carlo_simulacije_mehkih_delcev.pdf 1 82196E8F598049D4E3C5F9F668673BC0 db8066b126d844fbcf5a74ee879f57f01ef8b4ac18ff5bda7ead0929d515b43a ea1922be-1165-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=147009 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0