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Molecular Modeling and Determination of Properties of Ionic Liquids: Thermophysical and Transport Properties of Ionic Liquids through Molecular Simulation and Force Field Development - Couverture souple

Cadena, Cesar

 
9783639108439: Molecular Modeling and Determination of Properties of Ionic Liquids: Thermophysical and Transport Properties of Ionic Liquids through Molecular Simulation and Force Field Development
Couverture souple
ISBN 10 : 3639108434 ISBN 13 : 9783639108439
Editeur : VDM Verlag, 2009

Synopsis

Ionic liquids (ILs) are an exciting class of compounds with unique properties that make them attractive for industrial applications. Among their valuable features, an immesurably low vapor pressure and a liquid state at or near ambient conditions are found at the top of the list. In this book, thermophysical and transport properties of ionic liquids are theoretically investigated by means of molecular simulation techniques. Quantum calculations are used as a supportive tool to force field development work. This research task is guided and supported by experimental studies. Studied cations include imidazolium-, pyridinium- and triazolium-based structures with different inorganic anions such as hexafluorophosphate, bis(trifluoromethanesulfonyl)imide, nitrate and perchlorate. Static properties computed include gravimetric densities, volumetric expansivities, isothermal compressibilities, heat capacities, cohesive energy densities as well as the liquid structure. Analysis of the dynamic properties of ionic liquid systems is also carried out yielding information on the rotational dynamics and transport properties.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Ionic liquids (ILs) are an exciting class of compounds with unique properties that make them attractive for industrial applications. Among their valuable features, an immesurably low vapor pressure and a liquid state at or near ambient conditions are found at the top of the list. In this book, thermophysical and transport properties of ionic liquids are theoretically investigated by means of molecular simulation techniques. Quantum calculations are used as a supportive tool to force field development work. This research task is guided and supported by experimental studies. Studied cations include imidazolium-, pyridinium- and triazolium-based structures with different inorganic anions such as hexafluorophosphate, bis(trifluoromethanesulfonyl)imide, nitrate and perchlorate. Static properties computed include gravimetric densities, volumetric expansivities, isothermal compressibilities, heat capacities, cohesive energy densities as well as the liquid structure. Analysis of the dynamic properties of ionic liquid systems is also carried out yielding information on the rotational dynamics and transport properties.

Biographie de l'auteur

Cesar Cadena is a versatile chemical engineer and an enthusiastic leader with a flair for innovation. He is led successful dynamic projects in chemical engineering and software industries. Dr. Cadena holds MSc and PhD degrees in Chemical Engineering from the University of Notre Dame.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
VDM Verlag
Date d'édition
2009
Langue
anglais
ISBN 10 
3639108434
ISBN 13 
9783639108439
Reliure
Broché
Nombre de pages
204
Coordonnées du fabricant
non disponible
Personne responsable
non disponible