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
IN103:
Introduction to Matlab. Course + project: simulation of
the bioethanol production process
CB203:
Introduction to Molecular Simulation: Monte-Carlo and
Molecular Dynamics.
A5-1:
Introduction to Molecular Thermodynamics.
B3-1:
Modelling and Simulation of Batch Processes.
C4-2:
The hydrogen network: industrial production of hydrogen
(steam methane reforming, biomas anc coal gasification,
alkaline and HT electrolysis, thermochemical cycles).
Orgonaiser
of a week of visists of chemical plants.
Key
words: thermodynamics,
condensed matter,
polymers, phase
equilibria, SAFT equations of state, COSMO-RS, 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.
24)
E. El Ahmar, A. Valtz, P. Paricaud, C. Coquelet, L. Abbas,
W. Rached, Vapour-liquid equilibrium of binary systems containing
entafluorochemicals from 363 to 413 K: Measurement and modelling
with Peng-Robinson and three SAFT-like equations of states,
Int.
J. Refrig., 35, 2297-2310 (2013).
23)
M. Nala, E. Auger, I. Gedik, Nicolas Ferrando, Moussa Dicko,
Patrice Paricaud, et al., “Vapour–liquid equilibrium
(VLE) for the systems furan + n-hexane and furan + toluene.
Measurements, data treatment and modeling using molecular
models”,
Fluid Phase Equilib., 337, 234-245 (2013).
21)
J. L. Li, P. Paricaud, “Application of the Conduct-like
Screening Models for Real Solvent and Segment Activity Coefficient
for the Predictions of Partition Coefficients and Vapor-Liquid
and Liquid-Liquid Equilibria of Bio-oil-Related Mixtures
“,
Energy & Fuels, 26, 3756-3768 (2012).
20)
Paricaud, “Modeling of the dissociation conditions
of salt hydrates and gas semiclathrate hydrates. Application
to lithium bromide, hydrogen iodide, and tetra-n-butylammonium
bromide + carbon dioxide systems”,
J. Phys. Chem. B, 115, 288-299 (2011).
19)
J. Li, C. He, C. Peng, H. Liu, Y. Hu, P. Paricaud, “Modeling
of the thermodynamic properties of aqueous ionic liquid
solutions with an equation of state for square well chain
fluid with variable range”,
Ind. Eng. Chem. Res., 50, 7027- 7040 (2011).
18)
D. Fan, J. Li, J. Shi, C. Peng, H. Liu, Y. Hu, P. Paricaud
“Vapor-Liquid Equilibria in the n-Propyl Acetate +
Acetic Acid Binary System from 323.15 to 353.15K: Measurement
with a Static Method and Modeling with NRTL, Wilson, UNIQUAC
and COSMO-SAC”, J.
Chem. Eng. Data, 56, 1323-1329 (2011).
16)
X. Courtial, C.-B Soo, C. Coquelet, P. Paricaud, D. Ramjugernath
and D. 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).
14)
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).
13)
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).
12)
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).
11)
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).
9)
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).
8)
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).
7)
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).
6)
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).
5)
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 (2003).
4)
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).
3)
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).
2)
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).
1)
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).
