abstract
Contributing to extending the knowledge for the design and operation of biodiesel production processes, isobaric PTxy vapor-liquid equilibria data of ethanol + ethyl hexanoate, 1-pentanol + ethyl hexanoate and 1-pentanol + ethyl octanoate at two different pressures are reported for the first time. Consistency tests were applied to attest the quality of the collected data, for these especially complex measurements. Besides that, vapor pressures of the pure ethyl esters have also been measured. For modeling purposes, the Lyngby and Dortmund UNIFAC variants were used to predict the VLE phase diagrams. Generally, the predictions are of very good quality, being the UNIFAC-Do ( Dortmund) better, as the deviations in temperature and vapor compositions are always lower to 1.0 K and 0.020, respectively. Checking for the viability for extrapolations in pressure, CPA EoS was also applied to the modeling of the experimental data with very good results. Finally, aiming at examining the model capabilities to describe multicomponent systems, VLE measurements involving two alcohols and the fatty acid ethyl ester mixture obtained from non-edible vegetable oil have been carried out showing the good performance of the predictive models. (C) 2017 Elsevier Ltd. All rights reserved.
keywords
VAPOR-LIQUID-EQUILIBRIUM; EQUATION-OF-STATE; MODIFIED UNIFAC DORTMUND; HEAVY ESTERS; THERMODYNAMIC CONSISTENCY; GC-SAFT; SYSTEMS; PREDICTION; EXTENSION; MIXTURES
subject category
Energy & Fuels; Engineering
authors
Muhammad, F; Oliveira, MB; Pignat, P; Jaubert, JN; Pinho, SP; Coniglio, L
our authors
Mariana Belo Oliveira
Post-doc Fellowship
Simão Pedro de Almeida Pinho
Collaboratoracknowledgements
This work was developed in the scope of the Projects POCI-01-0145-FEDER-006984 - Associate Laboratory LSRE-LCM and POCI-01-0145-FEDER-007679 - CICECO-Aveiro Institute of Materials (FCT Ref. UID/CTM /50011/2013), funded by FEDER (European Union) through COMPETE2020 - Programa Operacional Competitividade e Internacionalizacao (POCI) - and by national funds through FCT (Portugal) - Fundacao para a Ciencia e a Tecnologia. Also, the authors express their acknowledgment to Frederic Roze from Universite de Lorraine - ENSIC (France) for his technical support during the work.