IONIC LIQUIDS - NEW ASPECTS FOR THE FUTURE Edited by Jun-ichi Kadokawa Ionic Liquids - New Aspects for the Future http://dx.doi.org/10.5772/45605 Edited by Jun-ichi Kadokawa Contributors Anna Martinelli, Jun-ichi Kadokawa, Tateki Ishida, Fatemeh Moosavi, Elaheh Kowsari, Clarissa Piccinin Frizzo, Dayse N. Moreira, Marcos Antonio Pinto Martins, Izabelle Gindri, Aniele Tier, Lilian Buriol, Madhulata Shukla, Satyen Saha, Hisashi Miyafuji, Yinghuai Zhu, Narayan Hosmane, Hidetaka Noritomi, Chuan-Pei Lee, Te-Chun Chu, Ling-Yu Chang, Jiang-Jen Lin, Kuo-Chuan Ho, Ana P.M. Tavares, Oscar Rodriguez, Eugénia A. Macedo, Nicholas Gathergood, Rohitkumar G. Gore, Jefferson Trindade Filho, Guilherme Caleffi, Toshiro Kaneko, Rikizo Hatakeyama, Shinya Sasaki, Yuriko Kondo, Takahiro Koyama, Takaya Sato, Takashi Morinaga, Takeo Ishizuka, Changwei Hu, Liangfang Zhu, Mihai Putz, Ana-Maria Putz (n. Lacrama), Pedro Mancini, María N. Kneeteman, Claudia D. Della Rosa, Carla Ormachea, Adam McCluskey, Ahmed Al Otaibi, Susumu Kuwabata, Iuliana Cota, Rafael Gonzalez-Olmos, Miguel Iglesias, Francesc Medina, Vicky Lange, Pete Licence, Barry Azzopardi, Ana P. C. Ribeiro, Carlos Nieto De Castro, Salomé I.C. Vieira, Maria J.V. Lourenço, Fernando J. V. Santos, Sohel S.M. Murshed, Peter Goodrich, Christopher Hardacre, João M. França Published by InTech Janeza Trdine 9, 51000 Rijeka, Croatia Copyright © 2013 InTech All chapters are Open Access distributed under the Creative Commons Attribution 3.0 license, which allows users to download, copy and build upon published articles even for commercial purposes, as long as the author and publisher are properly credited, which ensures maximum dissemination and a wider impact of our publications. After this work has been published by InTech, authors have the right to republish it, in whole or part, in any publication of which they are the author, and to make other personal use of the work. Any republication, referencing or personal use of the work must explicitly identify the original source. Notice Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher. No responsibility is accepted for the accuracy of information contained in the published chapters. The publisher assumes no responsibility for any damage or injury to persons or property arising out of the use of any materials, instructions, methods or ideas contained in the book. Publishing Process Manager Iva Lipovic Technical Editor InTech DTP team Cover InTech Design team First published February, 2013 Printed in Croatia A free online edition of this book is available at www.intechopen.com Additional hard copies can be obtained from orders@intechopen.com Ionic Liquids - New Aspects for the Future, Edited by Jun-ichi Kadokawa p. cm. ISBN 978-953-51-0937-2 free online editions of InTech Books and Journals can be found at www.intechopen.com Contents Preface IX Section 1 Fundamental Properties 1 Chapter 1 The Dynamical Properties on Ionic Liquids: Insights from Molecular Dynamics Study 3 Tateki Ishida Chapter 2 Modeling of Ionic Liquid Systems: Phase Equilibria and Physical Properties 31 Filipa M. Maia, Noelia Calvar, Emilio J. González, Aristides P. Carneiro, Oscar Rodriguez and Eugénia A. Macedo Chapter 3 A Comparative Study of Piperidinium and Imidazolium Based Ionic Liquids: Thermal, Spectroscopic and Theoretical Studies 61 Madhulata Shukla and Satyen Saha Chapter 4 Spectral-Structure Activity Relationship (Spectral-SAR) Assessment of Ionic Liquids’ in Silico Ecotoxicity 85 Ana-Maria Putz and Mihai V. Putz Chapter 5 Tribological Properties of Ionic Liquids 127 Yuriko Kondo, Tahahiro Koyama and Shinya Sasaki Chapter 6 Hydrodynamics of Ionic Liquids in Bubble Columns 143 Vicky Lange, Barry J. Azzopardi and Pete Licence Chapter 7 Synthesis, Properties and Physical Applications of IoNanofluids 165 Carlos Nieto de Castro, Ana P. C. Ribeiro, Salomé I.C. Vieira, João M. P. França, Maria J.V. Lourenço, Fernando V. Santos, Sohel M.S Murshed, Peter Goodrich and Christopher Hardacre Chapter 8 The Structure of Supported Ionic Liquids at the Interface 195 Fatemeh Moosavi Section 2 Energies, Fuels, and Biomass Conversions 231 Chapter 9 Ionic Liquids for Green Energy Applications - Local Structure and Dynamics by Advanced Spectroscopic Techniques 233 Anna Martinelli Chapter 10 Solid-State Ionic Liquid Based Electrolytes for Dye-Sensitized Solar Cells 257 Chuan-Pei Lee, Te-Chun Chu, Ling-Yu Chang, Jiang-Jen Lin and Kuo-Chuan Ho Chapter 11 Recent Advances in the Science and Technology of Desulfurization of Diesel Fuel Using Ionic Liquids 277 Elaheh Kowsari Chapter 12 Liquefaction of Wood by Ionic Liquid Treatment 299 Hisashi Miyafuji Chapter 13 Applications of Ionic Liquids in Lignin Chemistry 315 Zhu Yinghuai, Karen Tang Yuanting and Narayan S. Hosmane Section 3 Organic Reactions and Biological Applications 347 Chapter 14 Ionic Liquids: “Green” Solvent for Catalytic Oxidations with Hydrogen Peroxide 349 Liangfang Zhu and Changwei Hu Chapter 15 New Brønsted Ionic Liquids: Synthesis, Thermodinamics and Catalytic Activity in Aldol Condensation Reactions 365 I. Cota, R. Gonzalez-Olmos, M. Iglesias and F. Medina Chapter 16 Protic and Nonprotic Ionic Liquids in Polar Diels-Alder Reactions Using Properly Substituted Heterocycles and Carbocycles as Dienophiles. A DFT study 391 Pedro M. E. Mancini, Carla M. Ormachea, Claudia D. Della Rosa, María N. Kneeteman and Luis R. Domingo ContentsVI Chapter 17 Ionic Liquids as Doping Agents in Microwave Assisted Reactions 433 Marcos A. P. Martins, Jefferson Trindade Filho, Guilherme S. Caleffi, Lilian Buriol and Clarissa P. Frizzo Chapter 18 Multicomponent Reactions in Ionic Liquids 457 Ahmed Al Otaibi and Adam McCluskey Chapter 19 Safer and Greener Catalysts – Design of High Performance, Biodegradable and Low Toxicity Ionic Liquids 499 Rohitkumar G. Gore and Nicholas Gathergood Chapter 20 New Generations of Ionic Liquids Applied to Enzymatic Biocatalysis 537 Ana P.M. Tavares, Oscar Rodríguez and Eugénia A. Macedo Chapter 21 Pharmaceutical Salts: Solids to Liquids by Using Ionic Liquid Design 557 Clarissa P. Frizzo, Izabelle M. Gindri, Aniele Z. Tier, Lilian Buriol, Dayse N. Moreira and Marcos A. P. Martins Chapter 22 Increase in Thermal Stability of Proteins by Aprotic Ionic Liquids 581 Hidetaka Noritomi Section 4 Materials and Processing 595 Chapter 23 Use of Ionic Liquid Under Vacuum Conditions 597 Susumu Kuwabata, Tsukasa Torimoto, Akihito Imanishi and Tetsuya Tsuda Chapter 24 Plasma Process on Ionic Liquid Substrate for Morphology Controlled Nanoparticles 617 Toshiro Kaneko, Shohei Takahashi and Rikizo Hatakeyama Chapter 25 Ionic-Liquid-Assisted Synthesis of Hierarchical Ceramic Nanomaterials as Nanofillers for Electromagnetic-Absorbing Coatings 633 Elaheh Kowsari Contents VII Chapter 26 Ionic Liquids as Components in Fluorescent Functional Materials 653 Jun-ichi Kadokawa Chapter 27 Preparation, Physicochemical Properties and Battery Applications of a Novel Poly(Ionic Liquid) 673 Takaya Sato, Takashi Morinaga and Takeo Ishizuka ContentsVIII Preface Concerns with ionic liquids are one of the most interesting and rapidly developing areas in modern physical chemistry, materials science, technologies, and engineering. Increasing attention has also been paid to the use of ionic liquids in the research fields of biological aspects and natural resources. This book provides the forum for dissemination and exchange of up-to-date scientific information on theoretical, generic, and applied areas of ionic liquids. It, therefore, tends to review recent progresses in ionic liquid research on fundamental properties, solvents and catalysts in organic reactions, biological applications, providing energies and fuels, biomass conversions, functional materials, and other applications. I trust that this book will provide an active source of information for research in ionic liquid science and engineering. Prof. Dr. Jun-ichi Kadokawa Kagoshima University Kagoshima, Japan [...]... characteristics of the VACF profile, it is noted that the minima of the VACF are locat ed at the positions later than those of the maxima of the velocity cross-correlation func tions for the first coordination shell These features imply that the momentum transmitted to the neighbors at the first shell is regained partly by the central cation or anion, bounc 15 16 Ionic Liquids - New Aspects for the Future ing... C and A in super- and subscript in the above equation, we can easily derive the formulation for the cross-correlation between a centered anion and other cations Also, with the computation of the cross-correlation functions between the velocity of a cen tral ion and velocities of neighboring distinct ions, we can analyze the momentum transfer 9 10 Ionic Liquids - New Aspects for the Future between distinct... Figure 3 ((a) and (b)), the variation of cross-correlation function corre lates with the alteration of the VACF In particular, the cross-correlation function shows the increasing toward the maximum peak where the VACF approaches a minimum point 7 8 Ionic Liquids - New Aspects for the Future These features indicate that it is possible for us to track the time evolution of cross-corre lations (between... enhanced These are consistent with the consideration that the cation-anion 19 20 Ionic Liquids - New Aspects for the Future interactions promote the propagation of the momentum one after another, as mentioned in the cation case In addition, Figure 9 shows more interesting features Compared with the results for the central cation in Figure 8, while the P1 AA(t) does not contribute negligi bly to the total... of the system strongly correlates with the cation-anion cross-correlation, and it is emphasized that tracking cross-correlation terms is very important On the other hand, cor 21 22 Ionic Liquids - New Aspects for the Future responding to this result, the time derivative of the polarizability TCF shows long-decay fea ture extending up to the nanosecond times, as seen in Figure 10(b) Considering that the. .. model On the other hand, an interesting feature is seen in the C1(t) between distinct cations (or the C2(t) for distinct anions) As indicated in Figures 4 and 5, the cross-correlation function for distinct ions reaches the maximum point earlier than the C1(t) for the cation-anion cross-cor relation, even though the peak height is smaller than that in the cation-anion cross-correla tion function On these... governed by the longitudinal function, Cn L(t) Figure 6 Schematic explanation of the longitudinal (L) and nonlongitudinal (NL) of a cross-correlation function These results clearly indicate that the Coulomb interactions between neighboring ions are mainly effective on the ionic motions as driving forces at the short time In addition, the 17 18 Ionic Liquids - New Aspects for the Future magnitude of the longitudinal... ishida@ims.ac.jp 25 26 Ionic Liquids - New Aspects for the Future Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Japan References [1] Wasserscheid, P., & Welton, T (2008) Ionic Liquids in Synthesis, Weinheim, WileyVCH [2] Wasserscheid, P., & Keim, W (2000) Ionic liquids- New "solutions" for transition metal catalysis Angew Chem., Int Ed., 39, 377 3-3 789 [3] Castner,... MSD, while the longtime maximum is located at around the center of the crossover regime of the MSD On the other hand, for the anion, [NTf2], (t) has a double peak structure similar to that of the cation In particular, the long-time maximum peak is slightly shifted to about 300 ps, while the short-time maximum is locacted at the almost same time region as the cation The time regime where the long-time maximum... it should be noticed that the diffusive regime (linear 23 24 Ionic Liquids - New Aspects for the Future time-dependence region) after about 10 ns in Figure 12 coincides with the diffusive region in Figure 11 (after about 16 ns) for both the cation and the anion In particular, the shadowed area in Figure 12 covers the time range of the full width at half maximum (FWHM) of the second peak of (t) As pointed . IONIC LIQUIDS - NEW ASPECTS FOR THE FUTURE Edited by Jun-ichi Kadokawa Ionic Liquids - New Aspects for the Future http://dx.doi.org/10.5772/45605 Edited. from orders@intechopen.com Ionic Liquids - New Aspects for the Future, Edited by Jun-ichi Kadokawa p. cm. ISBN 97 8-9 5 3-5 1-0 93 7-2 free online editions of