Vincent GERBAUD

Directeur de recherche / research director CNRS

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PSI – Process System Engineering
Process modelling and functional analysis  

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RESEARCH TOPICS

I conduct research in process system engineering, with an emphasis on small scale modelling: molecular simulation, thermodynamics, computer aided molecular and mixture design. I started studying wine cream of tartar crystals and would like to share expertise with anyone willing to taste! At the process scale, I deal with the design and synthesis of extractive or azeotropic distillation processes. I inquire their optimal design in the light of the thermodynamics of the mixture with entrainer system, which resulted in a general design feasibility criterion. This has been possible at first through the investigation of phase equilibrium process thermodynamics, both in theory, in models and with molecular simulation, and second through the development of computer aided product and process design software tools. A related topic to equilibrium thermodynamics has been the prediction of mixture flash points and the devising of a general classification of flash point mixtures.

Recently, with the help of nonequilibrium thermodynamic principles and E. Morin’s theory of “la pensée complexe”, I address problems with a holistic approach, considering them as open systems with technical requirements within socio-economic issues. This always involves interdisciplinary teams of sociologist, geochemists, economics, physicists, and concerns large-scale systems, be it a renewable energy park, an enterprise-wide decision system, a Siberian ecosystem, a territorial macroeconomic system or else. Not much published yet but plenty of ideas. Contact me!

Research interest

Domains:
Biobased Solvent design, Solvent based separation process (extractive distillation, azeotropic distillation), physico-chemical property estimation, plant-wide chemical process simulation and optimization, chemical engineering thermodynamics thermodynamics for economy and social science

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Application & Teaching

Research supervision 

16 PhD students:

  • Rodriguez-Donis, Ivonne (Cuba) 1998- New methods for the separation of nonideal mixtures by batch azeotropic distillation. Nouvelles méthodes de distillation azéotropique discontinue pour la séparation de mélanges non idéaux.
  • Hadj-Kali, Mohamed (Algeria) 2004 – Application de la simulation moléculaire pour le calcul des équilibres liquide – vapeur des nitriles et pour la prédiction des azéotropes. (Application of molecular simulation for the calculation of liquid – vapour equilibria of nitriles and for the prediction of azeotropes.) http://ethesis.inp-toulouse.fr/archive/00000122/ Prix Léopold Escande des meilleures thèses de l’INPT
  • Benali, Mohammed (Maroc) 2006 – Prédiction des interactions substrat/liant lors de la granulation : Etude expérimentale dans un mélangeur à fort taux de cisaillement, approches thermodynamiques par simulation moléculaire. (Prediction of substrate/binder interaction in granulation : experimental study in high shear mixer, thermodynamic approaches by molecular simulation.) http://ethesis.inp-toulouse.fr/archive/00000377/
  • Varga, Viktoria (Hungary) 2006 – Distillation extractive discontinue dans une colonne de rectification et dans une colonne inverse. (Batch extractive distillation in a rectifier and in a stripper.) http://ethesis.inp-toulouse.fr/archive/00000406/ Prix Léopold Escande des meilleures thèses de l’INPT
  • Korichi, Mourad (Algérie) 2010 – Computer Aided Product and Process Design applied to flavour. Conception couplée produits – procédés assistée par ordinateur (CP2AO) : formulation et applications à la substitution d’arômes. Ouargla University (Algeria)
  • Belkadi, Abdelkrim (Algeria) 2008 – Modélisation de la matière avec l’équation SAFT pour la prédiction des propriétés thermodynamiques des fluides complexes à travers simulis thermodynamics. (SAFT modelling for the prediction of complex fluids thermodynamic properties within simulis thermodynamic property server.) http://ethesis.inp-toulouse.fr/archive/00000758/
  • Teles dos Santos, Moises (Brazil) 2010 – Conception des triacylglycérides à propriétés contrôlées: formulation et modélisation. (Desenvolvimento de ferramentas computacionais de auxílio ao projeto de produtos utilizando óleos vegetais: equilíbrio de fases sólido-líquido.) http://ethesis.inp-toulouse.fr/archive/00001507/ Prix Léopold Escande des meilleures thèses de l’INPT
  • Shen, Weifeng (Chine) 2012 – Extension of thermodynamic insights on batch extractive distillation to continuous operation. (Conception des procédés de distillation extractive continue basée sur des critères de faisabilité thermodynamique de la distillation extractive discontinue.) http://ethesis.inp-toulouse.fr/archive/00002137/
  • Heintz, Juliette (France) 2012 – Systemic approach and decision process for sustainability in chemical engineering: Application to computer aided product design. (Approche systémique et processus décisionnel pour le développement durable en génie des procédés : Application à la substitution de produits par formulation inverse.) http://ethesis.inp-toulouse.fr/archive/00002022/ Prix Léopold Escande des meilleures thèses de l’INPT
  • Hegely, Laszlo (2013) Improvement of Batch Distillation Separation of Azeotropic Mixtures. (Amélioration de la séparation distillation discontinue des mélanges azéotropiques.) http://ethesis.inp-toulouse.fr/archive/00002460/ Prix Léopold Escande des meilleures thèses de l’INPT
  • You, Xinqiang (2015) Thermodynamic Insight for the Design and Optimization of Extractive Distillation of 1.0-1a Class Separation. (Approche thermodynamique pour la conception et l’optimisation de la distillation extractive de mélanges à température de bulle minimale (1.0-1a).). http://ethesis.inp-toulouse.fr/archive/00003131/
  • Jarray, Ahmed (Tunisie) 2015 – Mesoscopic modelling, experimental and thermodynamic approach for the prediction of agglomerates, structures in granulation processes.. Approche thermodynamique, expérimentale et de modélisation mésoscopique pour la prédiction de la structure des agglomérats dans les procédés de granulation. http://oatao.univ-toulouse.fr/15112/1/jarray.pdf
  • Stojkovic, Marija (Serbie) 2017 – Contrôle optimal des unités de distillation discontinue pour la séparation de mélanges complexes non idéaux.
  • Bajul, Audrey (France) 2018 – Influence de la Carboxyméthylcellulose sur la cristallisation des sels tartriques dans les solutions hydroalcooliques et les vins.
  • Roth, Anastasia (France) ongoing – Development of a tactical decision model for the design of hybrid renewable energy systems adaptable to their environment. Développement de modèle d’aide à la conception tactique de parcs énergétiques adaptables à leur environnement économique, sociétal et naturel.
  • Da Cunha, Sergio (Brazil, France) ongoing – Nonequilibrium thermodynamic approach for the design of nature inspired processes. Approches de thermodynamiques hors équilibre pour la conception de procédés inspirés de la nature.

 

11 post-docs: Ivonne RODRIGUEZ-DONIS (Cuba), Silvere MASSEBEUF, Sebastian Sequeira (Argentine), Sebastien Pommier, Romuald VAN KAAM (France), Mohamed HADJKALI (Algérie), Juliette HEINTZ (France), Nishant PANDYA (Inde), Moises TELES DOS SANTOS (Brésil), Marie ROLAND (France), Natalia Carareto (Brésil)

9 Visiting professors: Zoltan LELKES (Hungary), Peter LANG(Hungary), Yi Hua LI (Taiwan), Hassiba BENYOUNES (Algeria), Ivonne RODRIGUEZ-DONIS (Cuba), Alien ARIAS BARRETO (Cuba), Galo Carillo LE ROUX (Brazil), Mustapha SAIDAT (Algeria), Yasar DEMIREL (USA), Fatima SEIHOUB (Algeria), Kirill  Glavataskiy (Australia)

6 commercial software (MeXtar 1.2, distributed by Laffort SA, MeXtar 2.0 distributed by EnoOne Italy, ResidueCurve®, RegSolExpert®, P3 distributed by Prosim SA, IBSS distributed by INPT and also a web application for conference management KCM Manager®.

 

Teaching activities:

  • ChemEng graduate level: introduction to molecular thermodynamics, introduction to molecular modelling, advanced process design and unit operation modelling, thermodynamics of self-organized critical systems, plant wide student projects,
  • Three interactive courses on process modelling and simulation, on molecular simulation and on molecular thermodynamics for chemical engineers
  • Supervisor of the reflexive approach to acquire professional competencies of engineers proficient in sustainability

Active Collaborations

P. Lang, L. Hegely (Hungary), Y. Demirel (USA), H.J. Liaw (Taiwan), K. Glavatskiy (Australia), G. Carillo Le Roux, M. Teles dos Santos (Brazil), R. Teisserenc (geochemist), S. Ferrari and late M. Nieddu (economists), P. Roggero (sociologist), C. Goupil (Physicist).

Education and Degrees

Head of the French GDR Thermodynamics research focus group.
CNRS research fellow then research director at LGC
PhD in Chemical Engineering at Toulouse-INP – Institut National Polytechnique de Toulouse (Toulouse, France)
MsC in Chemical Engineering at UMASS, University of Massachusetts (Amherst, USA)
BsC in Chemical Engineering at INP-ENSIGC Chemical Engineering School (Toulouse, France)

Publications

To access all publications, please visit the OATAO open archive weblink where most papers can be downloaded
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