Ionski sistemi z delno zamrznjenimi prostostnimi stopnjami

diplomsko delo

Jure Avsenik (Author), Miha Lukšič (Mentor)

Abstract

Za porozne materiale, ki niso homogeni na molekularnem nivoju, je značilno, da pri njihovi ureditvi poznamo le povprečno medsebojno porazdelitev delcev, ne poznamo pa informacije o geometriji ali velikosti nanopor. Primeri takih materialov so geli, gline, inženirski kompoziti. Porozen sistem, ki je v ravnotežju z raztopino, si lahko zamislimo kot sistem, v katerem so določene prostostne stopnje zamrznjene (angl. quenched). Ti delci predstavljajo matriko (adsorbent), po kateri se premikajo prosti delci adsorbata (angl. annealed particles). Teoretično lahko adsorpcijo v neurejeni porozni snovi obravnavamo v okviru replika Ornstein-Zernike integralskih enačb, v pomoč pa so nam tudi računalniške simulacije (npr. simulacija Monte Carlo ali dinamika molekul). Sistemi, ki vključujejo nabite delce (ione), so še zlasti zanimivi, saj imajo ioni pri adsorpcijskih procesih zelo pomembno vlogo (npr. desalinacija vode, porazdelitev skozi membrano, kromatografija). Namen diplomske naloge je bil povzeti glavne rezultate (struktura in termodinamika) sistemov z delno zamrznjenimi stopnjami, ki vsebujejo naboje.

Keywords

adsorbent;adsorbat;simulacije Monte Carlo;molekulska dinamika;replika Ornstein-Zernike integralske enačbe;delno zamrznjeni sistemi;diplomske naloge;

Data

Language:	Slovenian
Year of publishing:	2019
Typology:	2.11 - Undergraduate Thesis
Organization:	UL FKKT - Faculty of Chemistry and Chemical Technology
Publisher:	[J. Avsenik]
UDC:	544.723:544.272(043.2)
COBISS:	1538316227
Views:	836
Downloads:	191
Average score:	0 (0 votes)
Metadata:

Other data

Secondary language:	English
Secondary abstract:	It is a distinctive feature of porous materials, which are not homogenous on a molecular level, that, when regarding their arrangement, we recognize only mean mutual distribution of particles, but have no information regarding geometry or the size of nanopores. Examples of such materials are gels, clays and engineering composites. A porous system, in equilibrium with a solution, can be conceived as a system where certain degrees of freedom are quenched. These particles represent a matrix (an adsorbent), along which free particles of the adsorbent move (annealed particles). Theoretically, adsorption in a disordered porous material can be considered in terms of the replica Ornstein-Zernike integral equations, supported by computer simulations (eg. Monte Carlo simulation or molecular dynamics). Systems involving charged particles (ions) are particularly interesting due to the significant role of ions in adsorption processes (eg. desalination of water, distribution through the membrane, chromatography). This diploma thesis summarizes the main outcomes (structure and thermodynamics) of partially quenched systems including charges.
Secondary keywords:	adsorbent;adsorbate;Monte Carlo simulation;replica Ornstein-Zernike integral equations;partly-quenched systems;
Type (COBISS):	Bachelor thesis/paper
Study programme:	1000374
Embargo end date (OpenAIRE):	1970-01-01
Thesis comment:	Univ. v Ljubljani, Fak. za kemijo in kemijsko tehnologijo, VSŠ Kemijska tehnologija
Pages:	21 str.
ID:	11216346