In a few words

Carlos Nieto-Draghi (b. 1975) completed a Chemical Engineer degree at the Simón Bolívar University (Caracas, Venezuela) followed by a DEA and Ph.D. in Chemical Engineer and Processes at the Rovira i Virgili Univesrity (Tarragona, Sapin) in 2003 on the relationship between local structure and transport properties of aqueous solutions of organic solvents using molecular simulation techniques. Since 2005 he joined the Thermodynamic and Molecular Simulation Department of IFP Energies nouvelles as a R&I engineer in charge of the development of Multi-Scale simulation techniques to predict physico-chemical properties of fluids of industrial interest. He has participated as a contributor in the development of a general purpose molecular dynamics code (Newton) and Monte Carlo “Gibbs” code. He has published about 50 publications in peer reviewed international journals.

Research subjects
Estimation of the thermophysical properties of fluids of industrial interest in the fluid phase and in confinement
Development of descriptors for the characterization of porous materials

-Viscosity at extreme conditions

-TransMET: Transport of electrolytes by coarse-grain models for industrial applications. ANCRE project (SdBE) in collaboration with Bernard Rousseau from Institute of Physical Chemistry CNRS/Université Paris Sud

-ChesDens: In search of new adsorbents for the selective capture of CO2: from high-throughput screening to the development of structure-property models. Projet ANR-13-SEED-0001 in collaboration with the MADIREL Laboratory (UMR 7246), Aix-Marseille University and Charles Gerhardt Institute at Montpellier


Themodynamically Consistent Force Field for Coarse-Grained Modeling of Aqueous Electrolyte Solution. Carlos Nieto-Draghi, Bernard Rousseau. J. Phys. Chem. B 2019, 123, 10, 2424-2431. DOI:10.1021/acs.jpcb.8b11190


Fig. 4


Phase Behavior of Hydrocarbons in nano-pores. Nicolas Sobecki, Carlos Nieto-Draghi, Angela Di Lella, Didier Yu Ding. Fluid Phase Equilib. 2019, 497, 104-121. DOI:10.1016/j.fluid.2019.05.025

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes. Carlos Nieto-Draghi, Guillaume Fayet, Benoît Creton, Xavier Rozanska, Patricia Rotureau, Jean-Charles de Hemptinne, Philippe Ungerer, Carlo Adamo. Chem. Rev. 2015, 115, 24, 13093-13164. DOI:10.1021/acs.chemrev.5b00215