Thermodynamic modeling of phase equilibria in biorefineries

Soria, Ticiana Marina; Andreatta, Alfonsina E.; Pereda, Selva; Bottini, Susana B.

doi:10.1016/j.fluid.2010.10.029

Cited by 34 publications

(46 citation statements)

References 53 publications

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“…58 GC-PC-SAFT 59 and other models [60][61][62] are based on PC-SAFT; GC-PPC-SAFT (GC-PolarPC-SAFT) includes an extension for polar molecules 63 and HS-PC-SAFT (Hetero-Segmented-PC-SAFT) 64 includes one for hetero-segmented chains. There are also models based on simplied PC-SAFT 65,66 and a group contribution with association (GCA) EOS 67 that employs SAFT for the association contribution only. In contrast to making a group additivity approximation, it was shown that semi-empirical relationships between molecular properties accessible by quantum mechanics and PC-SAFT parameters can be established 68,69 as well.…”

Section: Computer-aided Solvent Selectionmentioning

confidence: 99%

Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering

Delidovich

Leonhard

Palkovits

2014

Energy Environ. Sci.

271

183

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Section: Computer-aided Solvent Selectionmentioning

confidence: 99%

Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering

Delidovich

Leonhard

Palkovits

2014

Energy Environ. Sci.

271

183

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“…This A-UNIFAC model adds a group contribution association term to the original UNIFAC combinatorial and residual expressions. 43 As in the GCA−EoS equation, this association term is based on Wertheim's theory for fluids with highly directed attractive forces 49 and it follows the group contribution approach proposed by Gros et al 27 The same procedure applied by Soria et al 53 in the GCA− EoS model to calculate the phase equilibrium of systems with multiple associating groups was applied in the A-UNIFAC model.…”

Section: A-unifac Modelmentioning

confidence: 99%

Liquid–Liquid Equilibria in Ternary Mixtures of Methyl Oleate + Ethanol + Glycerol at Atmospheric Pressure

Andreatta

2012

Ind. Eng. Chem. Res.

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The knowledge and the ability to describe the phase equilibrium behavior of systems composed of transesterification products are very important in the optimization of biodiesel production and purification process. In this work, liquid−liquid equilibrium data have been measured for the ternary system methyl oleate + ethanol + glycerol, at temperatures between 303 and 333 K. This system has not been explored before. The experimental data measured were compared with analogous ternary systems showing an increasing of the solubility regarding the systems containing methanol. The isothermal experimental data have shown a good linear fit in an Othmer−Tobias plot. The group contribution with association GCA−EoS equation of state and the A-UNIFAC model were applied to represent the phase equilibria of this ternary system. The GCA−EoS model in particular, has shown a good predictive capability.

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“…[53], [192], [201], [204]- [208] 10 [21], [209]- [217] 12 [18], [21], [22], [112], [166], [194], [218]- [223] 1 [224] Monte Carlo…”

mentioning

confidence: 99%

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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Thermodynamic modeling of phase equilibria in biorefineries

Cited by 34 publications

References 53 publications

Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering

Cellulose and hemicellulose valorisation: an integrated challenge of catalysis and reaction engineering

Liquid–Liquid Equilibria in Ternary Mixtures of Methyl Oleate + Ethanol + Glycerol at Atmospheric Pressure

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

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