diplomsko delo
Jaka Prelog (Author), Tomaž Urbič (Mentor)

Abstract

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.

Keywords

računalniške simulacije;Monte Carlo;mehki delci;model Gaussove sredice;ansambel;termodinamične lastnosti;strukturne lastnosti;diplomska dela;

Data

Language: Slovenian
Year of publishing:
Typology: 2.11 - Undergraduate Thesis
Organization: UL FKKT - Faculty of Chemistry and Chemical Technology
Publisher: [J. Prelog]
UDC: 544.272(043.2)
COBISS: 82765571 Link will open in a new window
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Downloads: 38
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Other data

Secondary language: English
Secondary title: Monte Carlo simulations of soft particles
Secondary abstract: 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.
Secondary keywords: Monte Carlo simulations;soft particles;Gaussian-core model;ensemble;thermodynamic properties;structural properties;
Type (COBISS): Bachelor thesis/paper
Study programme: 1000373
Embargo end date (OpenAIRE): 1970-01-01
Thesis comment: Univ. v Ljubljani, Fak. za kemijo in kemijsko tehnologijo, UNI Kemija
Pages: 42 str.
ID: 13359943