Phase equilibria of aqueous bio-component mixtures with different solvents for the design of a liquid-liquid extraction unit

Mikael Männistö

Phase equilibria of aqueous bio-component mixtures with different solvents for the design of a liquid-liquid extraction unit

Julkaisun otsikon käännös: Neste-neste uuttolaitteiston suunnittelun vaatimia faasitasapainoja nestemäisten biokomponenttiliuosten ja liuottimien välillä

Mikael Männistö

Tutkimustuotos: Doctoral Thesis › Collection of Articles

Abstrakti

Tässä väitöskirjassa tutkittiin erinäisiä liuottimia furfuraalin neste-neste uuttoon biojalostamoilla esiintyvistä vesiliuoksista. Lisäksi tutkittiin valittujen liuottimien kykyä erottaa biojalostamoiden vesiliuoksissa esiintyvää etikkahappoa. Erilaisia erotustapoja vastaaville liuoksille tutkitaan usein erilaisten prosessisimulointien avulla. Tällaiset simuloinnit tarvitsevat tarkkoja termodynaamisia malleja. Jos tarjolla ei ole kokeellista data, voidaan käyttää ennustavia malleja, mutta parhaan ja luotettavimman tuloksen antavat kokeelliseen dataan pohjautuviin parameterihin perustuvat termodynaamiset mallit. Tässä työssä mitattiin neste-neste tasapainoa useille eri seoksille laajalla lämpötila-alueella. Mitattua dataa, sekä kirjallisuudesta saatua eksessientalpia- ja neste-höyry ta-sapainodataa käytettiin UNIQUAC-HOC mallin vuorovaikutusparametrien regressointiin. Tällä tavoin regressoidut parametrit mahdollistavat uuttolaitteistojen simuloinnin lisäksi tislauskolonnien simuloinnin, jolloin voidaan tutkia myös uuton tuotevirtojen puhdistuksen vaatimia yksikköoperaatiota. Tutkittuja liuottimia vertailtiin komponenttikohtaisten jakautumiskertoimien ja selektiivisyyksien kautta. Vertailussa käytettiin kolmen komponentin seoksia (furfuraali+vesi+liuotin tai etikkahappo+vesi+liuotin) sekä nelikomponenttiseoksia (furfuraali+etikkahappo+vesi+liuotin). Lisäksi otettiin huomioon raffinaattiin jäävä liuotinmäärä. Tutkimuksessa havaittiin, että tutkituista liuottimista parhaiten furfuraalia ja etikkahappoa erottaa syklopentyylimetyylieetteri. Seuraavaksi parhaan tuloksen antoivat metyyli-isobutyyli ketoni ja tert-amyylimetyylieetteri, joilla molemmilla erotuskyky on hyvä. Mitattua metyyli tertbutyylieetterin dataa rajoittaa sen matala kiehumispiste, mutta erotuskyky on matalissa lämpötiloissa hyvä. 2-metyylitetrahydrofuraani ja tertamyyli alkoholi suoriutuivat erotuksesta heikoiten.

Julkaisun otsikon käännös	Neste-neste uuttolaitteiston suunnittelun vaatimia faasitasapainoja nestemäisten biokomponenttiliuosten ja liuottimien välillä
Alkuperäiskieli	Englanti
Pätevyys	Tohtorintutkinto
Myöntävä instituutio	Aalto-yliopisto
Valvoja/neuvonantaja	Alopaeus, Ville, Vastuuprofessori Pokki, Juha-Pekka, Ohjaaja
Kustantaja	Aalto University
Painoksen ISBN	978-952-60-8333-9
Sähköinen ISBN	978-952-60-8334-6
Tila	Julkaistu - 2018
OKM-julkaisutyyppi	G5 Artikkeliväitöskirja

Pääsy asiakirjaan

http://urn.fi/URN:ISBN:978-952-60-8334-6Lisenssi: Määrittelemätön

Siteeraa tätä

@phdthesis{3e6415f77e1843e087d735e4659f8a58,

title = "Phase equilibria of aqueous bio-component mixtures with different solvents for the design of a liquid-liquid extraction unit",

abstract = "The aim of this thesis was the investigation of various solvents for the liquid-liquid extraction of furfural from aqueous solutions, which are present in bio-refineries. Additionally, the potential of the solvents for the separation of acetic acid, also present in these mixtures, was tudied. Different separation methods are often studied and analysed through process simulations, which require accurate models for the studied systems. When experimental data is not available, predictive models fill this need, but a better fit can be achieved through measured data and accurately regressed parameters for a suitable thermodynamic model. This work measured liquid-liquid equilibria (LLE) for such applications for various systems over a wide range of temperatures. The measured data, along with available excess enthalpy and vapor-liquid equilibria data, was then used for regression of UNIQUAC-HOC binary interaction parameters, which allows not only for accurate LLE analysis and extraction unit simulation, but also for the simulation of distillation systems for the purification of these mixtures. The solvents studied were compared through the distribution factor and through their selectivity towards component separation. The comparisons were carried out for ternary systems with furfural, solvent and water, as well as systems with acetic acid. Additional data was also measured for quaternary systems involving both components. The work also takes into account the remaining traces of solvent in the raffinate through selectivity analysis. This study suggests that, out of the tested solvents, furfural and acetic acid can be most efficiently separated by cyclopentyl methyl ether when either of the products is desired. The next most suitable solvents are methyl isobutyl ketone and tert-amyl methyl ether, which provide good results for both components. The measured methyl tertbutyl ether data is limited by its low boiling point, but it separates furfural and HAc effectively at lower temperatures. 2-methyl tetrahydrofuran and tert-amyl alcohol provide inferior results.",

keywords = "liquid-liquid equilibria, aqueous bio-component mixtures, liquid-liquid equilibria, aqueous bio-component mixtures",

author = "Mikael M{\"a}nnist{\"o}",

year = "2018",

language = "English",

isbn = "978-952-60-8333-9",

series = "Aalto University publication series DOCTORAL DISSERTATIONS",

publisher = "Aalto University",

number = "243",

address = "Finland",

school = "Aalto University",

}

TY - BOOK

T1 - Phase equilibria of aqueous bio-component mixtures with different solvents for the design of a liquid-liquid extraction unit

AU - Männistö, Mikael

PY - 2018

Y1 - 2018

N2 - The aim of this thesis was the investigation of various solvents for the liquid-liquid extraction of furfural from aqueous solutions, which are present in bio-refineries. Additionally, the potential of the solvents for the separation of acetic acid, also present in these mixtures, was tudied. Different separation methods are often studied and analysed through process simulations, which require accurate models for the studied systems. When experimental data is not available, predictive models fill this need, but a better fit can be achieved through measured data and accurately regressed parameters for a suitable thermodynamic model. This work measured liquid-liquid equilibria (LLE) for such applications for various systems over a wide range of temperatures. The measured data, along with available excess enthalpy and vapor-liquid equilibria data, was then used for regression of UNIQUAC-HOC binary interaction parameters, which allows not only for accurate LLE analysis and extraction unit simulation, but also for the simulation of distillation systems for the purification of these mixtures. The solvents studied were compared through the distribution factor and through their selectivity towards component separation. The comparisons were carried out for ternary systems with furfural, solvent and water, as well as systems with acetic acid. Additional data was also measured for quaternary systems involving both components. The work also takes into account the remaining traces of solvent in the raffinate through selectivity analysis. This study suggests that, out of the tested solvents, furfural and acetic acid can be most efficiently separated by cyclopentyl methyl ether when either of the products is desired. The next most suitable solvents are methyl isobutyl ketone and tert-amyl methyl ether, which provide good results for both components. The measured methyl tertbutyl ether data is limited by its low boiling point, but it separates furfural and HAc effectively at lower temperatures. 2-methyl tetrahydrofuran and tert-amyl alcohol provide inferior results.

AB - The aim of this thesis was the investigation of various solvents for the liquid-liquid extraction of furfural from aqueous solutions, which are present in bio-refineries. Additionally, the potential of the solvents for the separation of acetic acid, also present in these mixtures, was tudied. Different separation methods are often studied and analysed through process simulations, which require accurate models for the studied systems. When experimental data is not available, predictive models fill this need, but a better fit can be achieved through measured data and accurately regressed parameters for a suitable thermodynamic model. This work measured liquid-liquid equilibria (LLE) for such applications for various systems over a wide range of temperatures. The measured data, along with available excess enthalpy and vapor-liquid equilibria data, was then used for regression of UNIQUAC-HOC binary interaction parameters, which allows not only for accurate LLE analysis and extraction unit simulation, but also for the simulation of distillation systems for the purification of these mixtures. The solvents studied were compared through the distribution factor and through their selectivity towards component separation. The comparisons were carried out for ternary systems with furfural, solvent and water, as well as systems with acetic acid. Additional data was also measured for quaternary systems involving both components. The work also takes into account the remaining traces of solvent in the raffinate through selectivity analysis. This study suggests that, out of the tested solvents, furfural and acetic acid can be most efficiently separated by cyclopentyl methyl ether when either of the products is desired. The next most suitable solvents are methyl isobutyl ketone and tert-amyl methyl ether, which provide good results for both components. The measured methyl tertbutyl ether data is limited by its low boiling point, but it separates furfural and HAc effectively at lower temperatures. 2-methyl tetrahydrofuran and tert-amyl alcohol provide inferior results.

KW - liquid-liquid equilibria

KW - aqueous bio-component mixtures

KW - liquid-liquid equilibria

KW - aqueous bio-component mixtures

M3 - Doctoral Thesis

SN - 978-952-60-8333-9

T3 - Aalto University publication series DOCTORAL DISSERTATIONS

PB - Aalto University

ER -

Phase equilibria of aqueous bio-component mixtures with different solvents for the design of a liquid-liquid extraction unit

Abstrakti

Pääsy asiakirjaan

Sormenjälki

Siteeraa tätä