Guest Editors
Prof. Dr. Nattan Roberto Caetano
Email: nattan.caetano@ufsm.br
Affiliation: Department of Mechanical Engineering, Federal University of Santa Maria, Santa Maria, 97105-000, Brazil
Homepage:
Research Interests: fluid dynamics, thermodynamics, energy efficiency, experimental measurements, data analysis
Dr. Marcos Antônio Klunk
Email: marcosak@unisinos.br
Affiliation: Department of Geology and Geophysics, Research Group – Natural Geophysics Applications (NGA), University of Vale do Rio dos Sinos, São Leopoldo, 93022-750, Brazil
Homepage:
Research Interests: Molecular Dynamics Simulation, Computational Fluid Dynamics
Summary
This Special Issue examines the fundamental and applied aspects of fluid flow, diffusion, and multiscale transport phenomena in porous adsorptive materials. Porous solids, such as zeolites, activated carbons, hierarchical silica–alumina frameworks, MOFs, clays, geopolymers, and biochars, exhibit highly complex fluid–material interactions, where confined molecular motion, capillary effects, and mass transport limitations govern their performance in engineering applications. Although these materials are widely studied for adsorption, catalysis, and separation, their fluid-dynamic behavior within micro-, meso-, and macroporous networks remains insufficiently integrated into the broader field of materials processing.
This Special Issue seeks to close this gap by gathering contributions that explicitly address transport phenomena and fluid–structure interactions across multiple scales, from molecular dynamics in angstrom-level channels to continuum descriptions of flow in packed or hierarchical beds.
The scope includes, but is not limited to:
· single- and multiphase flow in porous networks;
· transport modeling (MD, Monte Carlo, LBM, CFD);
· coupled diffusion–reaction systems;
· non-Newtonian behavior in confined geometries;
· the influence of pore architecture on flow regimes and mass transfer.
Applications of interest include:
· environmental remediation;
· gas separation and CO₂ capture;
· catalytic processes;
· wastewater treatment;
· oil recovery;
· engineered porous systems.
The Special Issue will highlight interdisciplinary advances that link materials engineering with modern fluid dynamics.
Keywords
molecular dynamics simulation, computational fluid dynamics, adsorption and reactive transport, multiscale modeling, fluid dynamics in confined spaces
Login
Register
Submit a Paper
Propose a Special lssue