This collection covers first principle and applied studies of thermodynamics and rate-governed phenomena including reaction kinetics and meso-, macro-scale transport of mass, momentum, and energy throughout the sequence of processing operations. Topics represented include but are not limited to:

• Thermodynamic modeling (i.e., CALPHAD-based methods) for the optimization of alloy solutions, slag compositions, and other types of materials


• Mass and energy balance simulations of material processing systems using of software such as FactSage, MPE, HSC-SIM, and METSIM 


• Both experimental and numerical studies on kinetic rate theories pertaining to crucial material processes such as chemical reactions, diffusion, nucleation and phase transformations, and solidification


• Numerical modeling and simulation, such as computational fluid dynamics (CFD), of multi-scale transport phenomena in unit operations


• Development and application of process simulations that utilize a combination of thermodynamic, kinetic, and transport equations to simulate and/or control individual unit operations and/or plants