Termodinamički modeli za opis topljivosti vitamina B3 u organskim otapalima

undergraduate thesis

• Title (english): Thermodynamic models for the description of solubility of vitamine B3 in organic solvents
• Author: Rafael Anelić
• Mentor: Marko Rogošić (mentor)
• Committee member: Marko Rogošić (predsjednik povjerenstva)
• Committee member: Krunoslav Žižek (član povjerenstva)
• Committee member: Juraj Šipušić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2020-09-18, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U radu su izračunati interakcijski parametri Wilsonova i NRTL-modela koeficijenta aktivnosti koristeći eksperimentalne podatke za temperature od 283,15 K do 323,15 K pri tlaku od 1 bar. Parametri su izračunati za otopine nikotinamida u sljedećim otapalima: vodi, acetonu, n-butanolu, butil-acetatu, etanolu, etil-acetatu, izobutanolu, 2-propanolu, metanolu, metil-acetatu i 1-propanolu. Pomoću dobivenih parametara nacrtani su dijagrami topljivosti nikotinamida u otapalima u promatranom području topljivosti te u cijelom rasponu sastava, od x1 = 0 % do x1 = 100 %. Wilsonov model, sudeći prema dobivenim vrijednostima minimuma funkcija cilja, najlošije opisuje sustav nikotinamid – butil-acetat, a model NRTL najlošije opisuje sustav nikotinamid – etil-acetat. Modeli posebno dobro opisuju sustav nikotinamid – 1-propanol. Dobiveni interakcijski parametri, dijagrami i vrijednosti topljivosti ne mogu se smatrati pouzdanima izvan područja eksperimentalnih vrijednosti jer eksperimentalni podaci pokrivaju razmjerno uski pojas temperatura i topljivosti.

Abstract (english)

In this paper the interaction parameters for the Wilson and NRTL activity coefficient models are calculated using the experimental data for temperatures ranging from 283.15 K to 323.15 K at the pressure of 1 bar. The parameters were calculated for the solutions of nicotinamide in the following solvents: water, acetone, n-butanol, butyl-acetate, ethanol, ethylacetate, isobutanol, 2-propanol, methanol, methyl-acetate and 1-propanol. Using these parameters, diagrams for the solubility of nicotinamide in the experimental range and in the full range of compositions, from x1 = 0% to x1 = 100% were drawn. Judging by the values of the minimum of objective functions, the Wilson model describes the system nicotinamide – butylacetate the worst, while the NRTL model describes the system nicotinamide – ethyl-acetate the worst. The models describe the system nicotinamide – 1-propanol especially well. The calculated interaction parameters and calculated solubility values cannot be taken as reliable outside the experimental range since the experimental data cover a small range of temperatures and solubilities.

• Keywords: Wilsonov model; model NRTL; topljivost; nikotinamid; vitamin B3
• Keywords (english): Wilson model; NRTL model; solubility; nicotinamide; vitamin B3
• Language: croatian
• URN:NBN: urn:nbn:hr:149:772326
• 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: 2023-05-02 07:53:41