Special Issue "Transport of Fluids in Nanoporous Materials"
Deadline for manuscript submissions: closed (31 October 2018)
A printed edition of this Special Issue is available here.
Prof. Dr. Suresh K. Bhatia
FTSE, FASc, FIChemE, School of Chemical Engineering, The University of Queensland, St. Lucia, QLD 4072, Australia
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Phone: +61 7 3365 4263
Fax: +61 7 3365 4199
Interests: adsorption and transport in porous materials; chemical engineering; simulation of carbon structure; reaction engineering; fluid solid reactions
The infiltration and transport of fluids in nanoporous materials are central to a vast array of existing and emerging processes for gas separation and energy storage. These include adsorption and catalysis, membrane separations, nanofluidics, electrochemical supercapacitors and batteries, all of which exploit features of fluid adsorption and transport in the narrow confinement characteristic of nanoporous materials. Numerous biological processes in living systems are also critically dependent on these phenomena. Modelling of the complex interplay between the molecules of the confined fluid, and between the fluid and the confining matrix is fundamental to the understanding of these processes and ultimately to their design and control. Although transport in confined spaces has been an active area of research for more than a century, the last two decades have seen an increasing interest because of the explosive growth of new nanomaterials and their applications, which has revealed significant shortcomings in existing transport theory.
Conventional models for flow have proved to be inadequate when fluids are confined within spaces of nanometer dimensions. Two considerations stand out: First, that it is no longer possible to ignore the effects of the potential energy fields generated by the solid surrounding the fluid phase. Second, the “no slip” boundary condition applied in the traditional treatment of viscous flow is not generally applicable. The no-slip condition is closely related to an assumption of random (or diffuse) reflection of fluid molecules at the solid boundaries, and therefore dependent on the atomic level configuration of the boundary and the intimate interaction between solid atoms and fluid phase molecules.
Progress has indeed been made in constructing molecular-level models of transport in highly confined spaces; however challenges remain in developing mechanical models of many particle systems that retain the key physics and are nevertheless tractable. Molecular dynamics simulation has now emerged as the method of choice for predicting transport coefficients at the nanoscale but the interpretation of experimental transport coefficients on the basis of simulation requires an accurate atomistic model of both the confining material, including internal defects and imperfections which can significantly affect internal barriers, and also of the fluid itself.
Additional complexities arise from the multiscale nature of most porous materials, such as disordered carbons and the hierarchical materials developed to circumvent macroscale transport resistances that might exist in purely nanoporous solids. While effective medium theory offers an attractive route for modelling local or sub-microscale transport, the complex multiscale architecture of such materials often requires approaches that are more specialized and tailored specifically to suit the material structure. An example is the established 2-equation modelling of transport in bidisperse structures, which has long been used to model adsorbate transport in nanoporous carbons and other materials that comprise distinct pore networks at two different length scales. Further, many transport processes of practical interest involve a fluid phase of more than one molecular species. It is now well established that transport of mixtures cannot be reliably predicted from knowledge of single phase properties. Methods of predicting fluxes in mixture transport in confined spaces are therefore of considerable importance to this field.
This Special Issue on “Transport of Fluids in Nanoporous Materials” aims to present novel theoretical and experimental advances that address key challenges in the area, as well as those which contribute to enhanced understanding of transport-related issues in specific applications. Topics include, but are not limited to:
- Developments in theoretical and simulation-based modelling of transport in nanopores and nanopoprous materials
- Relation between multiscale structure and transport properties of hierarchical porous materials
- Transport in membranes, including composite mixed matrix membranes
- Modelling and simulation of transport in electrochemical supercapacitors and batteries
- Simulation and characterisation of nanoporous material structure and its influence on transport
- Modelling of reaction-diffusion processes in porous materials and catalysts
Prof. Suresh K. Bhatia
Prof. Dr. David Nicholson
Dr. Xuechao Gao
Dr. Guozhao Ji
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1100 CHF (Swiss Francs). Please note that for papers submitted after 30 June 2019 an APC of 1200 CHF applies. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Molecular dynamics
- Modeling of transport
- Mixed matrix membranes
- Nanoporous materials
- Electrochemical systems