Lecturer at ENSTA (2004 - )
Postdoc, Vanderbilt University, Nashville, USA (2003-2004). Dudley Newitt
prize, Imperial College, London (2003). PhD in Chemical Engineering, Imperial
College, London (2003). Title: ''Understanding the Fluid Phase Behaviour of Polymer
Systems with the SAFT Theory''. BSc and MSc in Chemical Engineering, ENSIC,
Nancy (1999).
Teaching
1rst
year: Introduction to Matlab
2nd year: Introduction de molecular simulation
3rd year: Introduction de molecular thermodynamics. Batch
process simulation. Hydrogen as a fuel: production processes.
Key
words: thermodynamics,
condensed matter,
polymers, phase
equilibria, equations of state, molecular simulation, electrolytes
and reactive systems.
My
research focuses on the study of the thermodynamic behavior and physical properties
of complex mixtures such as polymeric systems and electrolyte solutions, by using
both equations of state and molecular simulation. Thermodynamics is essential
to chemical engineering, and is particularly important in the design and optimisation
of chemical processes. The study of phase equilibria is crucial for the design
of multiphasic reactors and separation processes such distillation columns. Some
applications of thermodynamics are the depollution of water, the extraction of
a compound by supercritical fluid or the study of the stability of a colloidal
solution.
Molecular
simulation and theories developped from statistical mechanics have become very
useful tools to predict physical macroscopic properties (resistance, viscosity,
density, surface tension, solubilities and phase equilibria ...) from the knowledge
of microscopic properties (intermolecular potentials). They are particularly useful
when an experimental study would be difficult or impossible, and they enable to
understand complex behaviors at the molecular scale. Molecular simulation is more
and more used in the development of nanotechnologies, as it allows for the determination
of the physical properties of synthetized molecules which cannot be found in nature.
PhD
Thesis (click to zoom)
Here are my main research activities:
Modeling
of vapor-liquid and liquid-liquid phase equilibria in polymer+solvent systems.
Development of a model to predict the solubility of gases in semi-crystalline
polymer, taking elastic effects into account.
In the design
of a gas phase polymerization process, it is necessary to know the solubility
of the monomers in the polymer grains, as this solubility directly determines
the rate of the polymerization reaction and the remaining quantity of gas after
the reaction. We have developped a model predicting the solubility of gas in polyethylene,
based the SAFT equation and the statistical mechanics of chain elsaticity, which
takes the plasticizing effects (due to the crystallites) into account.
Solubility
of organic compounds in water/alcohol mixtures.
We are developing
a group contribution method based on thermodynamic models (SAFT, ...) to predict
the solubility of organic compounds in these mixtures. There are three main applications:
food, pharmaceutical and environemental industries.
Liquid-liquid
phase equilibria in polymer+colloid mixtures.
Effect
of the polydispersity of chain length and colloid diameter.
Molecular
simulation of aqueous solutions.
Development
of polarizable force field for water and polar compounds.
P.
Paricaud, L. Tazi, J.M. Borgard, " Modeling the phase equilibria of the HIx mixture using the SAFT-VRE equation of state: binary systems "
Int. J. Hydrogen Energy, accepted (2009) pdf-preprint
Xavier Courtial, Chien-Bin Soo, Christophe Coquelet, Patrice Paricaud, Deresh Ramjugernath and Dominique Richon, " Vapor–liquid equilibrium in the n-butane + methanol system, measurement and modeling from 323.2 to 443.2 K ",
Fluid Phase Equilibr., 277, 152-161 (2009).
V.
Athès, P. Paricaud, M. Ellaite, I. Souchon, W. Fürst, "Vapour–liquid
equilibria of aroma compounds in hydroalcoholic solutions: Measurements with a
recirculation method and modelling with the NRTL and COSMO-SAC approaches",
Fluid
Phase Equilib., 265, 139-154 (2008).
P.
Paricaud, A. Galindo, G. Jackson, "Examining the effect of chain length polydispersity
on the phase behavior of polymer solutions with the statistical associating fluid
theory (Wertheim TPT1) using discrete and continuous distributions", J.
Chem. Phys., 127, 154906 (2007).
J.
L. Rivera, F. W. Starr, P. Paricaud, and P. T. Cummings, "Polarizable contributions
to the surface tension of liquid water", J.
Chem. Phys., 125, 094712 (2006).
A.J.
Haslam, N. von Solms, C. S. Adjiman, A. Galindo, G. Jackson, P. Paricaud, M. L.
Michelsen, G.. M.. Kontogeorgis, "Predicting enhanced absorption of light
gases in polyethylene using simplified PC-SAFT and SAFT-VR", Fluid
Phase Equilib., 243, 74 (2006).
P.
Paricaud, M. Predota, A. A. Chialvo, P. T. Cummings, "From dimer to condensed
phases at extreme conditions: Accurate predictions of the properties of water
by a Gaussian charge polarizable model", J.
Chem. Phys., 122, 244511 (2005).
A.
Valtz, A. Chapoy, C. Coquelet, P. Paricaud, D. Richon, "Vapour–liquid
equilibria in the carbon dioxide–water system, measurement and modelling
from 278.2 to 318.2K", Fluid
Phase Equilibria, 226, 333 (2004).
P.
Paricaud, S. Varga, P. T. Cummings, G. Jackson, "Effect of polymer chain-length
polydispersity on the phase behavior of model athermal mixtures of colloids and
flexible self-excluding polymers", Chem.
Phys. Lett., 398, 489 (2004).
P.
Paricaud, A. Galindo, G. Jackson, "Modeling the Cloud Curves and the Solubility
of Gases in Amorphous and Semicrystalline Polyethylene with the SAFT-VR Approach
and Flory Theory of Crystallization", Ind.
Eng. Chem. Res., 43, 6871 (2004).
P.
Paricaud, A. Galindo, G. Jackson, "Understanding liquid–liquid immiscibility
and LCST behaviour in polymer solutions with a Wertheim TPT1 description",
Mol.
Phys., 101, 2575–2600 (2003).
B.
H. Patel, P. Paricaud, A. Galindo, and G. C. Maitland, ''Prediction of the salting
out effect of strong electrolytes on water + oil systems'', Ind.
Eng. Chem. Res., 42, 3809 (2003).
P.
Paricaud, S. Varga, and G. Jackson, ''Study of the demixing transition in model
athermal mixtures of colloids and flexible self-excluding polymers using the thermodynamic
perturbation theory of Wertheim '', J.
Chem. Phys,.118, 8525 (2003).
P.
Paricaud, A. Galindo, and G. Jackson, ''Recent advances in the use of the SAFT
approach in describing electrolytes, interfaces, liquid crystals and polymers'',
Fluid
Phase Equilibria, 194, 87 (2002).
J.N.
Jaubert, R. Solimando, P. Paricaud, and A. Barreau, ''Use of distribution functions:
A useful tool to calculate the properties of condensate gases'', Ind.
Eng. Chem. Res., 39, 5029 (2000).
