Modeliranje topljivosti rivaroksabana u organskim otapalima

undergraduate thesis

• Title (english): Modeling of the solubility of rivaroxabane in organic solvents
• Author: Ana Antolković
• Mentor: Marko Rogošić (mentor)
• Committee member: Marko Rogošić (predsjednik povjerenstva)
• Committee member: Aleksandra Sander (član povjerenstva)
• Committee member: Kristina Zagajski Kučan (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2021-09-21, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U ovom radu opisani su načini modeliranja fazne ravnoteže kapljevina-krutina za antikoagulantni lijek rivaroksaban oblika I i II u sljedećim otapalima: acetonitril, metil-acetat, 1,4-dioksan, aceton, 2-butanon, 3-pentanon i 2-heksanon. Izračunati su interakcijski parametri četiriju modela koeficijenta aktivnosti: Wilson, NRTL, UNIQUAC i COSMO-RS koristeći eksperimentalne podatke o topljivosti rivaroksabana. Kao rezultat dobiveni su fazni dijagrami topljivosti za sva četiri modela te grafički prikaz krivulje taljenja određene prema modelima. Raspravljena je mogućnost primjene pojedinih modela za ispitivane sustave.

Abstract (english)

This paper describes methods for modeling the liquid-solid phase equilibria for the anticoagulant drug rivaroxaban forms I and II in the following solvents: acetonitrile, methyl acetate, 1,4-dioxane, acetone, 2-butanone, 3-pentanone and 2-hexanone. Interaction parameters of four activity coefficient models: Wilson, NRTL, UNIQUAC and COSMO-RS were calculated from experimental solubility data of rivaroxaban. As a result, solubility phase diagrams were obtained for all four models and a graphical representation of the liquidus curve determined by the models. The possibility of applying particular models for examined systems is discussed.

• Keywords: Wilsonov model; NRTL; UNIQUAC; COSMO-RS; rivaroksaban; topljivost
• Keywords (english): Wilson model; NRTL; UNIQUAC; COSMO-RS; rivaroxaban; solubility
• Language: croatian
• URN:NBN: urn:nbn:hr:149:467038
• 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: Closed access
• Created on: 2023-03-23 08:54:02