20.500.12556/DKUM-85219 Primerjava metod konstruiranja faznih diagramov trdno-tekoče binarnih zmesi organskih spojin diplomsko delo univerzitetnega študijskega programa I. stopnje Comparison of construction methods for solid-liquid phase diagrams for binary mixtures of organic compounds V diplomskem delu smo primerjali eksperimentalne in računske metode konstruiranja binarnih faznih diagramov trdno-tekoče organskih spojin. Za primerjavo metod smo analizirali tri različne binarne sisteme organskih spojin: benzojska kislina + dimetil tereftalat, (-)-mentol + miristinska kislina in kofein + nikotinska kislina. Temperature faznih prehodov smo eksperimentalno določili s termično analizo z metodo diferenčne dinamične kalorimetrije. Na podlagi dobljenih rezultatov smo izrisali binarne fazne diagrame. Eksperimentalno določene podatke smo primerjali z izračuni enačbe stanja ravnotežja trdno-tekoče. Za izračun aktivnostnih koeficientov v enačbi stanja smo uporabili štiri različne aktivnostne modele: idealni, UNIFAC, UNIFAC (Dortmund) in UNIFAC-LLE. Pri izračunih smo uporabljali različne metode določanja aktivnostnih koeficientov s kombinacijo programov Aspen Plus ter ALAMO Modeling Tool. In this diploma thesis we compared the experimental and computational methods for constructing solid-liquid binary phase diagrams of organic compounds. The method comparison was done with three different organic binary systems: benzoic acid + dimethyl terephthalate, (-)-menthol + myristic acid and caffeine + nicotinic acid. The phase transition temperatures were experimentally determined via differential dynamic calorimetry. We constructed binary phase diagrams based on our results. Our experimental data was compared with the data computed using the solid-liquid equation of state. For the calculations of the activity coefficients in the equation of state we used four different activity models: ideal, UNIFAC, UNIFAC (Dortmund), and UNIFAC-LLE. In our calculations we used different methods of determining the activity coefficients with a combination of the programs Aspen Plus and ALAMO Modeling Tool. binarne mešanice fazni diagrami ravnotežje trdno-tekoče organske spojine DSC modeliranje binary mixtures phase diagrams solid-liquid equilibria organic compounds DSC modeling true true false [J. Konjar] Slovenski jezik Angleški jezik Diplomsko delo/naloga 2023-08-22 16:17:08 2023-09-11 08:29:17 2023-09-30 03:08:16 0000-00-00 00:00:00 2023 0 Maribor 0 Maribor 1 spletni vir (1 datoteka PDF (XII 71 f.)) 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 544.344.015.3(043.2) 166292483 UN_Konjar_Jure_2023.pdf UN_Konjar_Jure_2023.pdf 1 CEAEF43C6B6E008A7F31E116E1BAB22B 81b58c21a848906f1f32619fd62c946ad706d757fb7a131f0bec3c2c30790393 eb4ba764-4da2-11ee-a04e-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=171769 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0