Time allowed for presentation of each: 45 min.
|Donald T. Reed
Repository Science and Operations, Los Alamos National Laboratory, USA
Solubility of Actinides in Complex Groundwater and Brine Systems
Dr. Reed currently manages the Actinide Chemistry and Repository Science (ACRSP) team within the Repository Science and Operations Program at Los Alamos National Laboratory. The ACRSP team’s primary mission is to perform laboratory studies on actinides in high ionic-strength brine systems to support the performance assessment of the Waste Isolation Pilot Plant (WIPP) transuranic repository program. The WIPP project relies heavily on thermodynamic models and data to demonstrate compliance for actinide release within its established safety case. Extending and developing models to define oxidation state distribution and the solubility of key actinides in high ionic-strength continues to be a key focus of ACRSP research.
Dr. Reed received his degree in Physical Chemistry from The Ohio State University in 1983 in applied radiation chemistry. Since then, he has spent over 35 years within the DOE lab system that started with three years at Hanford, sixteen years at Argonne National Laboratory in the Chemical Technology Division, and he has now been at Los Alamos since 2003. Over his career, he has published widely on high ionic strength chemistry, environmental actinide chemistry, repository science, applied radiation chemistry, and the biogeochemistry of actinides. He has also been the principle investigator on numerous applied/basic projects in applied radiation chemistry, environmental actinide chemistry and repository science/applications. This research has led to involvement in many international programs and projects over the years that includes the organization of several international workshops and conferences as well as DOE representation on the NEA Thermodynamic Database board since 2011.
University of Silesia in Katowice, Poland
Solubility Advantage of Amorphous Drugs
Marian Paluch studied physics at the University of Silesia in Katowice. In 1998 he gained his Ph.D. with a study on effect of pressure on the molecular dynamics of glass-forming liquids. In 2004 he completed his habilitation at the University of Silesia and obtained professor title in 2010. He spent two years at the Max Planck Institute for Polymer Research in Mainz in the group of Prof. E. W. Fischer. Later he was appointed as a visiting scientist at the Naval Reserch Laboratory in Washington DC, the University of Akron, the Hebrew University, the University of Pisa and the University of Tennessee.
Marian Paluch is currently the head of the Biophysics and Molecular Physics Department where he is developing high pressure techniques for studying the molecular dynamics in condensed matter, charge transport in ionic liquids, phase transitions and crystallization kinetics. He is also Academic Editor in AIP Advances.
Warsaw University of Technology, Poland
Phase Equilibria in Binary and Ternary Systems from Experiments to their Evaluations
Professor since February 1995. Honorary Professor at Thermodynamic Research Unit, School of Chemical Engineering, University of KwaZulu-Natal, Durban, South Africa 2010-2018.
Head of the Department of Physical Chemistry since September 1991. Vice Director of the Institute of Fundamental Chemistry (1988 - 1990).
A career in research and teaching in physical chemistry and thermodynamics. Particularly interested in thermodynamics of phase equilibria, calorimetry, measurements, correlation and prediction of physicochemical properties, ionic liquids, polymers, pharmaceuticals, fragrance row materials.
Member of the Polish Chemical Society, of the Polish Association of Calorimetry and Thermal Analysis, Steering Committee of ESAT (European Symposium on Applied Thermodynamics) since 2005. National Delegate to Working Party on Thermodynamics and Transport Properties of European Federation of Chemical Engineering since 2008. Scientific advisor at J. Chem. Eng. Data (2005-2010), South African Journal of Chemistry (from 2006) and member of the Scientific Committee of J. Chem. Thermodyn. since 2010.
|Margarida F. Costa Gomes
Institute of Chemistry of Clermont-Ferrand, ICCF UMR 6296, France
Physical and Chemical Gas Absorption in Ionic Liquid Mixtures
Institute of Chemistry of Clermont-Ferrand, ICCF UMR 6296, France
Solubility and Phase Equilibria from Theoretical Chemistry and Molecular Simulation
Agilio Padua is a distinguished professor of physical chemistry at Université Clermont Auvergne and a senior member of the Institut Universitaire de France. The central concept prof. Padua's research is that of designer liquid: a solvent, a reaction or separation medium, an electrolyte, a lubricant, etc. that is tailored in view of specific properties. This research follows a materials-science approach: starting from an understanding of the molecular interactions and ordering at a fundamental level, aiming to establish structure-property relations enabling a rational design for applications in sustainable chemical processes and in devices. In order to be functionalised and fine-tuned, a liquid must have a resilient microscopic structure. Ionic fluids, composed of large, complex organic ions, offer such a platform, since they accept a wide variety of chemical functional groups without compromising their stability and fluidity. However, this diversity and the complexity and subtlety of the interactions pose major challenges. A. Padua's research combines quantum calculations, molecular dynamics simulations and molecular thermodynamics to understand the detailed non-covalent interactions, structure and dynamics of fluids, materials and their interfaces at the atomistic level. A. Padua authored over 135 papers that were cited more than 8000 times in the literature.
Time allowed for presentation of each: 30 min.
University of Silesia in Katowice, Poland
Modelling of phase equilibria using CP-PC-SAFT EoS - Practical Example: Phase Behavior of Mercury in Hydrocarbons
Mirosław Chorążewski received his Ph.D. degree in Physical Chemistry (2003) from the University of Silesia, Poland. He is now an adjunct professor in the Institute of Chemistry at the University of Silesia. In 2009 he was postdoctoral research fellow at the E. Hala Laboratory of Thermodynamics Academy of Sciences of the Czech Republic, where he was working under the guidance of Professor Ivan Wichterle. In 2006 and 2009-2011 he was postdoctoral research fellow at the University of Blaise Pascal, France, where he was working on thermodynamic modeling of high-pressure biofuels under the guidance of Professor Jean-Pierre Grolier. He is interested mainly in application of the high-pressure calorimetry - transitiometry technique and acoustic methods in determining thermophysical properties of substances under high pressure. His research group focus on statistical mechanics and thermodynamics at the molecular level, with a particular emphasis on equations of state and fluctuation phenomena. We have worked on topics that include the application of statistical mechanics to problems of fluctuation equation of state interest. We also have interests in the mathematical modeling of the antioxidant capacity of foods; analysis of mechanical, thermal, and electrical energy storage in nanoporous solids.
|Isabel M. Marrucho
Instituto Superior Técnico, Universidade de Lisboa, Portugal
Eutectic Solvents: Expanding Chemical Profiles
Isabel M. Marrucho is a Professor in Chemical Engineering in University of Lisbon. She obtained her PhD in Chemical Engineering from Instituto Superior Técnico (Portugal) / Colorado School of Mines (USA). Currently, Isabel serves as Director of the Master degree in Chemistry in University of Lisbon-IST and she was a founder and a member of direction board of the PhD programme in Sustainable Chemistry. She has been active in the broad field of Green Chemistry, in particular on the study of ionic liquids and ionic liquids-based materials, for more than 15 years. Most of her work is established at the edge of chemistry, chemical engineering and material science fields and encompasses topics such as development of green solvents and functional materials, understanding of solvency and selectivity processes and design of efficient separation processes.
Indian Institute of Technology Madras, India
Phase Equilibrium Studies of Systems Involving Aqueous Ionic Liquids and Deep Eutectic Solvents
Dr. Ramesh Gardas is an Associate Professor in the Department of Chemistry at Indian Institute of Technology Madras, Chennai, India.
Dr. Gardas completed his PhD from Veer Narmad South Gujarat University, Surat. Subsequent to his PhD, he was a research fellow at University of Coimbra, Portugal and followed it with a Post-Doctoral Research Fellowship at PATh, University of Aveiro, Portugal. Before joining IIT Madras, he was a research associate at QUILL, Queen’s University Belfast, UK.
His research interests include Ionic Liquids, Chemical Thermodynamics, Fluid Phase Equilibria, Group Contribution methods and Structure-Property correlations.
Based on a QSPR approach, “Gardas and Coutinho Model” was developed for describing the densities of ionic liquids in the wide ranges of pressures and temperatures (Fluid Phase Equilib. 263 (2008) 26-32). More than 7500 thermodynamic data measured by his research group at IIT Madras are included in NIST Standard Reference Database #147 Programme – ILThermo (Database for Thermodynamic Properties of Ionic Liquids), developed by Thermodynamics Research Center (TRC), National Institute of Standards and Technology (NIST), USA.
With the combination two important research areas, Solution Thermodynamics and Ionic Liquids, developed a strong research group and experimental thermo-physical property lab to explore ‘Physical Chemistry of Ionic liquids’.
Queen’s University Belfast, UK
Solubility Phenomena in Aqueous Solutions of Zwitterionic Salts
Dr Marijana Blesic obtained her PhD in Physical Chemistry in 2008 from the Universidade Nova de Lisboa, Portugal, having previously graduated with a MEng in Chemical Engineering from the University of Belgrade, Serbia. After completing her PhD, as a postdoctoral researcher, she was working on industrial projects sponsored by ENI, Petronas, and Procter & Gamble. Since March 2015, she has been a Lecturer in Chemical Engineering at the School of Chemistry and Chemical Engineering, Queen's University Belfast, UK. Her research interest lies in the area of solution chemistry and phase equilibria, and it is particularly focused on design of new molecular structures (surfactants, ionic liquids, zwitterionic salts) for diverse targeted applications.
Institute of Physical and Theoretical Chemistry, Universität Regensburg, Germany
Dielectric Spectroscopy of Ion-Binding Equilibria
Since 2003, Richard Buchner is Member of the International Advisory Committee of the European Molecular Liquids Group; 2007-13 EMLG Chairman.
Visiting professor at Murdoch University, Australia (host: Prof. G. Hefter), and AIST Sendai, Japan (Dr. M. Kanakubo).
He's also Editorial Board Member of the Journal of Molecular Liquids (since 1995), the Journal of Chemical and Engineering Data (2009-2015) and the Zeitschrift für Physikalische Chemie (2011-2014).
Dielectric relaxation spectroscopy; dynamics and structure of pure liquids, electrolyte solutions and ionic liquids; ion association, solvation and transport properties of electrolytes; hydration and ion binding of osmolytes and micelles.
UPMC Sorbonne Université, France
Nanoparticles Solubilities: Nonextensive Thermodynamics Approaches, Applications
PCM2E invited speakers:
for the Dedicated Session on Electrolytes and Related Phenomena in Electrochemical Storage Systems
|Patrik Johansson (45 min plenary)
Chalmers University of Technology, Göteborg, Sweden
Explicit and Implicit Modelling of Non-Aqueous Electrolytes for Next Generation Batteries
|Michaël Deschamps (30 min invited talk)
Université d’Orléans, France
Diffusion in Electrolytes, Inside and Outside Electrodes, as Viewed by Nuclear Magnetic Resonance