Experimental and Computational Study on Liquid-Liquid Equilibrium in Ternary Systems of gamma-Valerolactone, Toluene, and Hydrocarbons

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F16%3A43900372" target="_blank" >RIV/60461373:22340/16:43900372 - isvavai.cz</a>

Výsledek na webu

<a href="http://pubs.acs.org/doi/abs/10.1021/acs.jced.5b00611" target="_blank" >http://pubs.acs.org/doi/abs/10.1021/acs.jced.5b00611</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.5b00611" target="_blank" >10.1021/acs.jced.5b00611</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and Computational Study on Liquid-Liquid Equilibrium in Ternary Systems of gamma-Valerolactone, Toluene, and Hydrocarbons

Popis výsledku v původním jazyce

?-Valerolactone is a biomass-derived compound widely applicable in chemical industry, especially as a solvent, additive to fuels or precursor for other chemicals. In contrast with the industrial importance of ?-valerolactone, there is an insufficient number of mixture phase-equilibria in the literature. Therefore the aim of this work was to measure liquid-liquid equilibrium data for ternary systems ?-valerolactone + toluene + hydrocarbon (hydrocarbons were n-heptane, n-decane, n-dodecane, and cyclohexane) by the direct analytical method at 298.15 K and 0.1 MPa. The obtained experimental data were processed and correlated by the nonrandom two-liquid (NRTL) model. The NRTL binary parameters between ?-valerolactone and toluene were evaluated from the measured ternary liquid-liquid equilibrium data while the other binary parameters were obtained by regression of binary liquid-liquid equilibrium data or vapor-liquid equilibrium and excess enthalpy data taken from literature. The predictive performance of the perturbed-chain induced-polar SAFT (PCIP-SAFT) equation of state was also studied for the ternary systems. Based on the pure-components data only, the PCIP-SAFT predictions can be considered as relatively successful because of the ability of PCIP-SAFT to take into account the dipolar interactions.

Název v anglickém jazyce

Experimental and Computational Study on Liquid-Liquid Equilibrium in Ternary Systems of gamma-Valerolactone, Toluene, and Hydrocarbons

Popis výsledku anglicky

?-Valerolactone is a biomass-derived compound widely applicable in chemical industry, especially as a solvent, additive to fuels or precursor for other chemicals. In contrast with the industrial importance of ?-valerolactone, there is an insufficient number of mixture phase-equilibria in the literature. Therefore the aim of this work was to measure liquid-liquid equilibrium data for ternary systems ?-valerolactone + toluene + hydrocarbon (hydrocarbons were n-heptane, n-decane, n-dodecane, and cyclohexane) by the direct analytical method at 298.15 K and 0.1 MPa. The obtained experimental data were processed and correlated by the nonrandom two-liquid (NRTL) model. The NRTL binary parameters between ?-valerolactone and toluene were evaluated from the measured ternary liquid-liquid equilibrium data while the other binary parameters were obtained by regression of binary liquid-liquid equilibrium data or vapor-liquid equilibrium and excess enthalpy data taken from literature. The predictive performance of the perturbed-chain induced-polar SAFT (PCIP-SAFT) equation of state was also studied for the ternary systems. Based on the pure-components data only, the PCIP-SAFT predictions can be considered as relatively successful because of the ability of PCIP-SAFT to take into account the dipolar interactions.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Engineering Data

ISSN

0021-9568

e-ISSN

—

Svazek periodika

61

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

391-397

Kód UT WoS článku

000368564600044

EID výsledku v databázi Scopus

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