Computational Methods for Predicting Physicochemical Properties of Ionic Liquids and Deep Eutectic Solvents
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Overview
Computational Methods for Predicting Physicochemical Properties of Ionic Liquids and Deep Eutectic Solvents presents a systematic account of theoretical, empirical, group contribution, machine learning, and molecular simulation approaches for predicting and tailoring the physicochemical properties of ionic liquids (ILs) and deep eutectic solvents (DESs). By comparing these approaches on a consistent basis of accuracy, predictability, and computational cost across key properties including density, viscosity, thermal conductivity, surface tension, heat capacity, electrical conductivity, speed of sound, refractive index, and gas solubility, the book enables readers to select the most appropriate model for their research or industrial needs. In addition, it incorporates process simulation case studies and economic assessments of IL-based applications. The book serves as a reference for graduate students, researchers, and process engineers in chemical engineering, physical chemistry, and materials science.
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Details
- ISBN-13: 9780443492822
- ISBN-10: 0443492824
- Publisher: Elsevier
- Publish Date: May 2027
- Page Count: 300
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