Proizvodnja imidazolidinonskih otapala iz celuloze

undergraduate thesis

• Title (english): Production of imidazolidinone solvents from cellulose
• Author: Jan Kaplan
• Mentor: Marko Rogošić (mentor)
• Committee member: Igor Dejanović (predsjednik povjerenstva)
• Committee member: Aleksandra Sander (član povjerenstva)
• Committee member: Marko Rogošić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2024-09-17, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U radu su opisane ključne reakcijske i separacijske veličine pri proizvodnji polarnih aprotičnih otapala 1,3-dimetil-2-imidazolidinona (DMI) i 1,3,4-trimetil-2-imidazolidinona (TMI) iz početnih sirovina celuloze i N,N’-dimetiluree (DMU) na temelju u literaturi pronađenog eksperimentalnog rada. Opisana su svojstva tih otapala, industrijski važni načini sinteze DMI, iz dostupne literature prikupljena su eksperimentalno određena fizikalna i termodinamička svojstva reakcijskih komponenti te su u brojnim slučajevima procijenjena metodama strukturno-grupnih doprinosa. Priređena je i bilanca tvari predloženog reakcijskog ciklusa te su njezine ključne veličine procijenjene mješovitim oblikom jednadžbe fazne ravnoteže
para-kapljevina. Parna faza modelirana je Peng-Robinsonovom kubnom jednadžbom stanja, a kapljevita modelom COSMO–RS (eng. COnductor like Screening MOdel for Real Solvents) čije su ovisnosti koeficijenta aktiviteta o sastavu dalje modelirani modelom NRTL
(eng. Non-Random Two Liquid). Priređena je i bilanca reakcijske entalpije te su ukratko komentirani ključni problemi i razmatranja vezana za proizvodnju u većem mjerilu.

Abstract (english)

The paper describes the key reaction and separation parameters in the production of polar aprotic solvents 1,3-dimethyl-2-imidazolidinone (DMI) and 1,3,4-trimethyl-2-imidazolidinone (TMI) from the starting raw materials cellulose and N,N'-dimethylurea (DMU), based on experimental work found in the literature. The properties of these solvents are described, as well as industrially important methods of synthesizing DMI. Experimentally determined physical and thermodynamic properties of the reaction components were collected from the available literature, and in many cases, they were estimated via group contribution methods. Mass balance of the proposed reaction cycle was made, and key parameters were estimated using a mixed form of vapor-liquid equilibrium equation. The vapor phase was modeled using the Peng-Robinson cubic equation of state, and the liquid phase using the COSMO-RS (COnductor-like Screening MOdel for Real Solvents), where the dependence of the activity coefficient on composition was further modeled using the NRTL (Non-Random Two Liquid) model. Reaction enthalpy calculation was also made, and key issues and considerations concerning large-scale production were briefly discussed.

• Keywords: 1 3-dimetil-2-imidazolidinon; 1 3 4-trimetil-2-imidazolidinon; celuloza; uvećanje procesa; polarna aprotična otapala; ravnoteža para-kapljevina
• Keywords (english): 1 3-dimethyl-2-imidazolidinone; 1 3 4-trimethyl-2-imidazolidnone; cellulose; scale-up; polar aprotic solvents; vapor-liquid equilibrium
• Language: croatian
• URN:NBN: urn:nbn:hr:149:148428
• Study programme: Title: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry; Course: Environmental chemistry and green technologies; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2024-11-16 20:28:46