Ravnoteža kapljevina-krutina u smjesama dugolančanih alkohola i dugolančanih alkana

undergraduate thesis

• Title (english): Solid-liquid equilibria in mixtures of long-chain alkanes and long-chain alcohols
• Author: Emanuel Tomljenović
• Mentor: Marko Rogošić (mentor)
• Committee member: Marko Rogošić (predsjednik povjerenstva)
• Committee member: Krunoslav Žižek (član povjerenstva)
• Committee member: Igor Dejanović (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2019-09-10, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U ovom radu su na nekoliko primjera opisani načini modeliranja fazne ravnoteže kapljevina‐krutina u sustavima s dugolančanim organskim molekulama. Podatci za temperaturu taljenja kao funkciju sastava preuzeti su iz literature i na temelju tih podataka modelirani su fazni dijagrami u sustavima koji uz n‐oktanol kao prvu komponentu sadrže još i ravnolančani alkan: n‐oktan (2), n‐dekan, n‐undekan, n‐dodekan, n‐tetradekan odnosno n‐heksadekan. Za opis neidalnosti kapljevite faze testirani su sljedeći modeli koeficijenta aktivnosti: troparametarski i četveroparametarski Redlich‐Kisterov model, Wilsonov model, model NRTL, model
NRTL‐MK, model UNIQUAC i model UNIFAC. Kao rezultat modeliranja dobivene su ravnotežne krivulje taljenja koji nastoje što bolje opisati eksperimentalne podatke o ovisnosti tališta o sastavu otopine. Iz rezultata je vidljivo da Redlich‐Kisterov model (troparametarski i četveroparametarski) te model NRTL‐MK bolje opisuju sve sustave, a Wilsonov model, model NRTL, model UNIQUAC i model UNIFAC nešto lošije zadovoljavaju podudarnost krivulja modela i eksperimentalnih točaka.

Abstract (english)

This paper describes, in several examples, procedures for modeling liquid‐solid phase equilibria in systems with long‐chain organic molecules. Experimental data for melting point as a function of system composition were taken from literature and on the basis of that data phase diagrams were modeled for systems containing n‐octanol as the first component and long‐chain n‐alkanes: n‐octane, n‐decane, n‐undecane, n‐dodecane, n‐tetradecane or n‐hexadecane as the second component. In order to describe unideal behavior of liquid phase the following activity coefficient models were tested: three‐parameter and
four‐parameter Redlich‐Kister model, Wilson model, NRTL model, NRTL‐MK model, UNIQUAC model and UNIFAC model. As a result of modeling, equilibrium liquidus curves were obtained which tend to describe the experimental data in the best possible way. The results show that the Redlich‐Kister model (three‐parameter and four‐parameter) and the NRTL‐MK model can describe fairly all investigated systems; Wilson, NRTL, UNIQUAC and UNIFAC models describe the experimental data slightly worse.

• Keywords: ravnoteža kapljevina‐krutina; Redlich‐Kisterov model; Wilsonov model; NRTL; NRTL‐MK; UNIQUAC; UNIFAC; dugolančani alkani; n‐oktanol
• Keywords (english): solid‐liquid phase equilibria; Redlich‐Kister model; Wilson model; NRTL; NRTL‐MK; UNIQUAC; UNIFAC; long‐chain alkanes; n‐octanol
• Language: croatian
• URN:NBN: urn:nbn:hr:149:324328
• Study programme: Title: Chemical Engineering - Undergraduate study; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2023-05-29 11:22:55