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master's thesis
Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike
Split: University of Split, Faculty of Science, 2024. urn:nbn:hr:166:559736
Marinić, Tajana Laura
University of Split
Faculty of Science

Institutional repository: Repository of Faculty of Science

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Marinić, T. L. (2024). Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike (Master's thesis). Split: University of Split, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:166:559736

Marinić, Tajana Laura. "Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike." Master's thesis, University of Split, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:166:559736

Marinić, Tajana Laura. "Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike." Master's thesis, University of Split, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:166:559736

Marinić, T. L. (2024). 'Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike', Master's thesis, University of Split, Faculty of Science, accessed 29 December 2024, https://urn.nsk.hr/urn:nbn:hr:166:559736

Marinić TL. Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike [Master's thesis]. Split: University of Split, Faculty of Science; 2024 [cited 2024 December 29] Available at: https://urn.nsk.hr/urn:nbn:hr:166:559736

T. L. Marinić, "Analiza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike", Master's thesis, University of Split, Faculty of Science, Split, 2024. Available at: https://urn.nsk.hr/urn:nbn:hr:166:559736

Metadata
TitleAnaliza svojstava glicerola i njegove vodene otopine metodom Molekularne Dinamike
Title (english)Analysis of the properties of glycerol and its aqueous solution using Molecular Dynamics
AuthorTajana Laura Marinić
MentorBernarda Lovrinčević (mentor)
Committee memberBernarda Lovrinčević (predsjednik povjerenstva)
Committee memberPetar Stipanović (član povjerenstva)
Committee memberMartina Požar (član povjerenstva)
GranterUniversity of Split
Faculty of Science
Split
Defense date and country2024-09-30, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract
Glicerol je viskozna, polarna molekula koja formira bogate mreže vodikovih veza, što značajno utječe na njegove dinamičke karakteristike. Vodena otopina glicerola koristi se u mnogim industrijskim, farmaceutskim, prehrambenim postrojenjima zahvaljujući svojim jedinstvenim kemijskim i fizikalnim svojstvima. U ovom radu analizirani su struktura i dinamika glicerola i vodena otopina glicerola s molarnim udjelom 0.5 metodom Molekularne Dinamike. Cilj nam je bio istražiti na koji način se razlikuje čisti glicerol od njegove vodene otopine. U tu svrhu smo analizirali radijalne distribucijske funkcije, autokorelacijske funkcije brzine i srednje kvadratno odstupanje.
Abstract (english)
Glycerol is a viscous, polar molecule that forms extensive hydrogen bond networks, which significantly influence its dynamic characteristic. Aqueous glycerol solutions are used in many industrial, pharmaceutical and food processing applications due to their unique chemical and physical properties. In this paper, the structure and dynamics of glycerol and an aqueous glycerol solution with molar fraction of 0.5 were analyzed using Molecular Dynamics methods. Our goal was to investigate how pure glycerol differs from its aqueous solution. To achieve this, we analyzed the radial distribution functions, the velocity autocorrelation functions, and the mean square displacements.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:166:559736
Study programmeTitle: Physics; specializations in: specialization in Education, specialization in Astrophysics and Elementary Particle Physics, specialization in Biophysics, specialization in Environmental Physics, specialization in Computational Physics
Course: specialization in Biophysics
Study programme type: university
Study level: graduate
Academic / professional title: sveučilišni/a magistar/magistra fizike (sveučilišni/a magistar/magistra fizike)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2024-10-24 12:49:00