Recent contributions of statistical mechanics in chemical engineering

Density functional theory for chemical engineering: From capillarity to soft materials

“…It provides the bedrock for understanding numerous natural phenomena and for design and optimization of chemical processes. The importance of statistical mechanics in chemical engineering has been recognized for many years 3‐5. One prominent example, primarily from the 1960s and 1970s, is the development and application of equations of state and local‐composition models, attained by ingenious combinations of basic concepts from statistical mechanics (in particular, van der Waals equation of state and Boltzmann's distribution law) with extensive experimental data 6, 7.…”

Evaluation of a locus of azeotropes by molecular simulation

“…Ex-Ž . amples include Deem, 1998 zeolites, polymers, biomaterials, adsorption, catalysis, and phase equilibria.…”

Molecular Simulations of Thermodynamic Properties for the Systemα‐Cyclodextrin/Alcohol in Aqueous Solution

“…Methods to predict physicochemical properties of complex systems based on statistical mechanics have gained an ever increasing importance in chemical engineering research [1]. They have been percolating a diverse field of applications ranging from adsorption in porous media over protein engineering to materials design [2].…”