Aswathy Joseph – författare

Theoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properties are then explored, followed by interfacial properties and solvation dynamics.

Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields.

Highlights new approaches for selecting ionic liquids by combining theoretical knowledge with experimental and simulation-based observations Discusses how theoretical simulation can help in selecting specific anion-cation combinations to show enhanced properties of interest Compares the accuracy and efficiency of different theoretical approaches for predicting ionic and liquid characteristics

Theoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properties are then explored, followed by interfacial properties and solvation dynamics.Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields.- Highlights new approaches for selecting ionic liquids by combining theoretical knowledge with experimental and simulation-based observations- Discusses how theoretical simulation can help in selecting specific anion-cation combinations to show enhanced properties of interest- Compares the accuracy and efficiency of different theoretical approaches for predicting ionic and liquid characteristics

Ionic Liquids-based Nanofluids provides a comprehensive exploration of nanoparticle dispersions in ionic liquids, covering their design, physicochemical behaviour, and technological relevance. It builds from the foundational principles of colloidal science and ionic liquid chemistry to advances in synthesis strategies, interfacial phenomena, and structure–property relationships.Integrating theoretical frameworks with experimental insights and application-driven perspectives, the book highlights the transformative potential of ionic liquids-based nanofluids in diverse sectors, including energy harvesting and storage systems, advanced thermal management, and electrochemical devices. It addresses sustainability dimensions, including toxicity assessment, environmental implications, lifecycle considerations, and safe handling practices, emphasizing responsible development and deployment.This book will interest industry researchers and graduate students studying nanofluid applications within the fields of mechanical, materials, chemical, and environmental engineering.

Ionic Liquids-based Nanofluids provides a comprehensive exploration of nanoparticle dispersions in ionic liquids, covering their design, physicochemical behaviour, and technological relevance. It builds from the foundational principles of colloidal science and ionic liquid chemistry to advances in synthesis strategies, interfacial phenomena, and structure-property relationships.Integrating theoretical frameworks with experimental insights and application-driven perspectives, the book highlights the transformative potential of ionic liquids-based nanofluids in diverse sectors, including energy harvesting and storage systems, advanced thermal management, and electrochemical devices. It addresses sustainability dimensions, including toxicity assessment, environmental implications, lifecycle considerations, and safe handling practices, emphasizing responsible development and deployment.This book will interest industry researchers and graduate students studying nanofluid applications within the fields of mechanical, materials, chemical, and environmental engineering.