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
Margarida Costa Gomes obtained her Chemical Engineering diploma and her PhD in Experimental Thermodynamics in Lisbon, Portugal. She was a research associate at Imperial College in London and a post-doctoral fellow at the Blaise Pascal University in France before joining the CNRS in 1998 and becoming a CNRS Research Professor in 2010. She was awarded the CNRS Bronze Medal in 2003 and in 2004 she passed her habilitation.
Margarida was an invited researcher in 2008 at the Instituto de Tecnologia Quimica e Biológica, Portugal and in 2014-15 she was a visiting scholar at the Massachusetts Institute of Technology, USA, where she maintains a position as research affiliate.
She has been responsible of the Thermodynamics and Molecular Interactions of Ionic Liquids research group at the Institute of Chemistry of Clermont-Ferrand and participates in several French and European research networks on Ionic Liquids. Her research interests concern the physical chemistry of ionic liquids including their interactions with different solutes and materials.
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
Simple and accurate tool for prediction of densities and speeds of sound of compressed liquids using fluctuation-based isothermal equation of state
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
Mireille Turmine is an associate professor in Sorbonne University in Paris (formerly, University Pierre et Marie Curie, UPMC) in the Laboratory of Interfaces and Electrochemical Systems. She obtained her PhD in Chemistry and a habilitation degree (HDR), both from UPMC in Paris. Mireille was an invited professor in 2009 and 2011 in University of Santiago de Compostelle in Spain.
Since 2004, she developed with Prof. Pierre Letellier a nonextensive thermodynamic approach in order to describe the physicochemical properties of (nano)-aggregates with ill-defined interfaces such as, for example, micelles, nanoparticules or nanobubbles. She has experienced in Thermodynamics of interfaces and physicochemical properties of. ionic liquids and their mixtures with molecular solvents for their applications in Electrochemistry.
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
Patrik Johansson received his PhD in Inorganic Chemistry 1998 from Uppsala University, Sweden.
After a postdoc with Mark Ratner and Duward Shriver at the Chemistry Department at Northwestern University, Evanston, IL, USA, he returned to Sweden and Chalmers University of Technology where he was promoted to Full Professor in Physics in 2016 (Prof. in 2012). During 2014-2015 he was Visiting Professor at LRCS-CNRS, UPJV, in Amiens, France. He has continuously aimed at combining understanding of new materials at the molecular scale, often via ab initio/DFT computational methods and IR/Raman spectroscopy, with battery concept development and real battery performance. His special interest is electrolytes; liquid, gel, polymer, and ionic liquid, especially salts and additives, for Li-ion batteries and various novel battery technologies: Na-ion, Li-S, Mg, Ca, Al, etc.
He is currently active in 3 large H2020 projects: NAIADES, HELIS and CARBAT.
In 2015 he won the BASF Creator Space Energy Storage Contest for his new ideas on Al-battery technology. He has a group of ca. 12 PhD students and postdocs, takes part in several national and international projects, many involving Swedish and European industry. He is since Jan 1st 2018 co-director of CNRS FR 3104 ALISTORE-ERI; Europe's largest industry-academia network within the field of modern batteries. He has published >135 scientific papers, written 5 book-chapters, and is Vice Head of Division for Condensed Matter Physics.
|Michaël Deschamps (30 min invited talk)
Université d’Orléans, France
Diffusion in Electrolytes, Inside and Outside Electrodes, as Viewed by Nuclear Magnetic Resonance
Prof. Michaël Deschamps is an associate professor of materials chemistry at the University of Orléans (France), and heads the “NMR and Materials” group at the CNRS laboratory CEMHTI (UPR 3079 Extreme Conditions and Materials: High Temperature and Irradiation). He got his BSc in Chemistry, MSc in Physical Chemistry and Spectroscopy, and a PhD on Nuclear Magnetic Resonance in the group of Prof. G. Bodenhausen at the Ecole Normale Supérieure in Paris (France).
He moved to the University of Oxford where he became a post-doctoral fellow and biochemistry tutor in the group of Prof. Iain D. Campbell, and was awarded an EMBO fellowship in 2003. During his post-doctoral years, his research focused on the structural determination of biomolecules by NMR. He obtained an Assistant Professor position in Orléans in 2005, was promoted to Associate Professor in 2013 and became a Junior member of the Institut Universitaire de France in 2014.
Prof. M.Deschamps’ research is focused on the characterization of materials by NMR, with applications in batteries and supercapacitors, and he authored around 65 peer-reviewed papers.
Institut de Ciència de Materials de Barcelona, Spain
Electrolytes for Ca and Mg based batteries
Dr Alexandre Ponrouch received his Master Degree in Electrochemistry from Paul Sabatier University (Toulouse, France) and his PhD from the Institut National de la Recherche Scientifique (INRS-EMT, Canada) in 2010 working on electrodeposition of metals, alloys and oxides for application in fuel cells and supercapacitors. Then he moved to the Institut de Cíencia de Materials de Barcelona (ICMAB-CSIC, Spain) as a postdoctoral fellow working on electrode and electrolyte formulation for Li and Na-ion batteries. In January 2017, in the framework of an ERC starting grant, he set up a new laboratory in ICMAB dedicated to multivalent cation (Ca and Mg) based rechargeable batteries.
SyMMES (Univ. Grenoble Alpes/CNRS/CEA), Grenoble, France
Soft electrolytes with controlled organisations for energy storage and conversion
Manuel Marechal is CNRS researcher in the laboratory of Molecular Systems and nanoMaterials for Energy and Health (SyMMES) in Grenoble. He holds a PhD in electrochemistry from Grenoble-INP (2004) and a habilitation diploma (HDR) from the University Grenoble Alpes (2016). He spent two years (2005-2007) as a post-doctoral fellow/teaching assistant at the University of Victoria (B.C., Canada) and two additional years (2007-2009) as an assistant professor in the chemistry department of the University Grenoble Alpes (UGA) while doing his research in the UMR5819-SPrAM lab. He was then hired in 2009 as a CNRS researcher at UMR5279-LEPMI lab, and joined UMR5819-SyMMES lab in 2015. His research interest consists in i) studying the interplay between structure and ionic transport in "soft" electrolytic media, and ii) the electrochemistry for/by Large Scale Facilities. The different categories of studied electrolytes (gels, block copolymers, ionic liquids (crystals), hybrid membranes) are of interest for potential applications in energy conversion and storage.