Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state

Kanda, Luis Ricardo Shigueyuki; Santos, Kallynca Carvalho dos; Santos, Julia T.F.; Paes, Francisco Carlos; Voll, Fernando Augusto Pedersen; Corazza, Marcos L.

doi:10.1016/j.fluid.2018.07.014

Cited by 5 publications

(2 citation statements)

References 35 publications

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“…With regard to development of novel efficient thermodynamic methods, a real advance in the modeling of polar and highly non-ideal systems came with the advancement of more rigorous explicit association models like the SAFT equation, which was adopted by both the academic and industrial communities. The approach is very successful in modeling the phase equilibria of complex systems, see for example Pereira et al (2016), Kanda et al (2018), Rodriguez and Beckman (2019), Abala et al (2019), to name just a few.…”

Section: If Equationmentioning

confidence: 99%

Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design

Stateva

Cholakov

2020

Process Systems Engineering for Biofuels Development

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Modeling phase equilibria of biofuel mixtures requires reliable thermodynamic models and knowledge of the thermophysical properties of the pure compounds involved.The Chapter outlines specific challenges of biofuels process design within the circular transformation of alternative blended feed stocks (increasingly including biowastes),which has to produce also a variety of high added value products by flexible production schemes.Experimental phase equilibria and property data of biofuels components are scarce and often cannot be measured. Prediction methods for the latter, if they exist, have to be expertly selected. When they are not available, new methods, taking into account the influence of the uncertainties in the estimated thermodynamic properties required on the quality of the phase equilibria calculations, have to be developed. In this context the Chapter discusses thermodynamic modeling, property data, chemical structureproperty relationships, molecular modeling, etc., as relevant to integrated process and product design of future smart biorefineries.

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Section: If Equationmentioning

confidence: 99%

Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design

Stateva

Cholakov

2020

Process Systems Engineering for Biofuels Development

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“…[177] 2 [178], [179] [15], [20], [24], [74], [120], [136], [143], [173], [180]- [194] 4 [195]- [198] 1…”

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Phase equilibria modeling of biorefinery-related systems: a systematic review

Corazza

Trancoso

2021

Chemical Product and Process Modeling

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The search for sustainable ideas has gained prominence in recent decades at all levels of society since it has become imperative an economic, social, and environmental development in an integrated manner. In this context, biorefineries are currently present as the technology that best covers all these parameters, as they add the benefits of waste reuse, energy cogeneration, and fossil fuel substitution. Thus, the study of the various applicable biological matrices and exploring the technical capabilities of these processes become highly attractive. Thermodynamic modeling acts in this scenario as a fundamental tool for phase behavior predictions in process modeling, design, and optimization. Thus, this work aimed to systematize, using the PRISMA statement for systematic reviews, the information published between 2010 and 2020 on phase equilibria modeling in systems related to biorefineries to organize what is already known about the subject. As a result, 236 papers were categorized in terms of the year, country, type of phase equilibria, and thermodynamic model used. Also, the phase behavior predictions of different thermodynamic models under the same process conditions were qualitatively compared, establishing PC-SAFT as the model that best represents the great diversity of interest systems for biorefineries in a wide range of conditions.

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An experimental methodology to validate the use of hydroethanolic mixtures as suspending medium / modifier for the supercritical CO2 extraction of suspensions

Mamani,

del Valle,

Aravena

et al. 2025

The Journal of Supercritical Fluids

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Vapor-liquid and liquid-liquid equilibrium modeling of systems involving ethanol, water, and ethyl valerate (valeric acid) using the PC-SAFT equation of state

Cited by 5 publications

References 35 publications

Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design

Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design

Phase equilibria modeling of biorefinery-related systems: a systematic review

An experimental methodology to validate the use of hydroethanolic mixtures as suspending medium / modifier for the supercritical CO2 extraction of suspensions

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