Adsorption And Transport At The Nanoscale

Nanoporous materials are used widely in industry as adsorbents, particularly for applications where selective adsorption of one fluid component from a mixture is important. Nanoscale structures are of increasing interest for micro- and nanofluidic devices. Computational methods have an important role to play in characterizing, understanding, and designing such materials. Adsorption and Transport at the Nanoscale gives a survey of computational methods and their applications in this burgeoning field. Beginning with an overview of adsorption and transport phenomena at the nanoscale, this book details several important simulation techniques for characterization and modeling of nanomaterials and surfaces. Expert contributors from Europe, Asia, and the US discuss topics including Monte Carlo simulation for modeling gas adsorption; experimental and simulation studies of aniline in activated carbon fibers; molecular simulation of templated mesoporous materials and adsorption of guest molecules in zeolitic materials; as well as computer simulation of isothermal mass transport in graphitic slit pores. These studies elucidate the chemical and physical phenomena while demonstrating how to perform the simulation techniques, illustrating their advantages, drawbacks, and limitations. A survey of recent progress in numerical simulation of nanomaterials, Adsorption and Transport at the Nanoscale explains the central role of molecular simulation in characterizing and designing novel materials and devices.

This book is a printed edition of the Special Issue "Transport of Fluids in Nanoporous Materials" that was published in Processes

Intensive research on fullerenes, nanoparticles, and quantum dots in the 1990s led to interest in nanotubes and nanowires in subsequent years. Handbook of Nanophysics: Nanotubes and Nanowires focuses on the fundamental physics and latest applications of these important nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances understanding of the state-of-the-art scientific content through fundamental equations and illustrations, some in color. This volume first covers key aspects of carbon nanotubes, including quantum and electron transport, isotope engineering, and fluid flow, before exploring inorganic nanotubes, such as spinel oxide nanotubes, magnetic nanotubes, and self-assembled peptide nanostructures. It then focuses on germanium, gallium nitride, gold, polymer, and organic nanowires and their properties. The book also discusses nanowire arrays, nanorods, atomic wires, monatomic chains, ultrathin gold nanowires, and several nanorings, including superconducting, ferromagnetic, and quantum dot nanorings. Nanophysics brings together multiple disciplines to determine the structural, electronic, optical, and thermal behavior of nanomaterials; electrical and thermal conductivity; the forces between nanoscale objects; and the transition between classical and quantum behavior. Facilitating communication across many disciplines, this landmark publication encourages scientists with disparate interests to collaborate on interdisciplinary projects and incorporate the theory and methodology of other areas into their work.

As nanomaterials get smaller, their properties increasingly diverge from their bulk material counterparts. Written from a materials science perspective, Adsorption and Diffusion in Nanoporous Materials describes the methodology for using single-component gas adsorption and diffusion measurements to characterize nanoporous solids. Concise, yet comprehensive, the book covers both equilibrium adsorption and adsorption kinetics in dynamic systems in a single source. It presents the theoretical and mathematical tools for analyzing microporosity, kinetics, thermodynamics, and transport processes of the adsorbent surface. Then it examines how these measurements elucidate structural and morphological characteristics of the materials. Detailed descriptions of the phenomena include diagrams, essential equations, and fully derived, concrete examples based on the author's own research experiences and insight. The book contains chapters on statistical physics, dynamic adsorption in plug flow bed reactors, and the synthesis and modification of important nanoporous materials. The final chapter covers the principles and applications of adsorption for multicomponent systems in the liquid phase. Connecting recent advances in adsorption characterization with developments in the transport and diffusion of nanoporous materials, this book is ideal for scientists involved in the research, development, and applications of new nanoporous materials.

This thesis demonstrates how molecular modeling techniques can be used to gain significant insights into numerous applications that are increasingly attracting research interest because of their societal importance. It presents innovative ideas that, by altering the fundamental physical phenomena occurring at the solid/liquid interface, allow the fluid transport in nanochannels to be manipulated so as to improve the performance of the practical applications. The applications explicitly considered in this thesis are the design of drag-reducing and self-cleaning surfaces; water desalination; and shale gas exploration – all of which are, to some extent, governed by nanoscale fluid transport. Overall, this thesis is useful for students and researchers entering the field who wish to understand how molecular modeling can improve the performance in a wide range of applications.

Adsorption through Advanced Nanoscale Materials: Applications in Environmental Remediation brings together the latest developments in the utilization of advanced nanoadsorbents in wastewater treatment, pollution control, removal and remediation, gas separation and other environmental applications. The book begins by providing an overview of absorption, adsorbents and nanoadsorbents, introducing properties, classification, synthesis, characterization, enhancement of adsorption capabilities, principles and advantages and disadvantages of nanoadsorbents. Other sections cover the preparation of advanced nanoadsorbents based on specific materials for wastewater treatment, including adsorbents incorporating carbon nanotubes, graphene and graphene oxide, carbon dots and fullerene, polymer nanocomposites, metal oxides, nanoclay, nanofillers, and filtration membranes. Final sections examine the role of nanoadsorbents in broader environmental applications, including areas such as pollution control and removal and gas separation. Finally, other important considerations are studied, including toxicity and health impact, ecotoxicological effects, commercialization and economic issues, challenges and research gaps, trends, and future opportunities. Provides in-depth coverage of nanoadsorbents for a range of targeted environmental applications Covers, in detail, fundamentals such as synthesis methods, characterization and inhibition mechanisms Addresses key areas such as toxicity, health impact, research gaps, trends and commercialization

Fluid transport in narrow pores is central to the design and optimization of nanoporous materials in industrial applications, such as catalysis, nanofluids, electrochemical batteries, and membrane separation. However, due to the strong potential field in nanopores, conventional models and methods have become inadequate for predicting the transport behavior of molecules confined in the pore space. In addition, the inherent complexity of the pore structure in nanomaterials requires consideration of local or nanoscale transport at the single pore level, and averaging over the macroscale, which further impedes the application and validation of the formulated mechanical models. To solve the problem of fluid transport in narrow nanopores beyond Knudsen limits, experimental characterizations should be combined to molecular simulations in order to probe the fluid movement under realistic conditions. This book provides comprehensive perspectives on the current research in the investigation of fluid transport processes in nanomaterials. The articles from leading scholars in this field are conveniently arranged according to three categories based on the approaches used in the papers: modeling and simulation, nanomaterial manipulation and characterization, and practical application. The 14 contributions not only demonstrate the importance of fluid behavior in different applications but also address the main theories and simulations to model the fluid transport behavior in nanoporous materials. This collection shows that "fluid transport in nanomaterials" remains a versatile and vibrant topic in terms of both theories and applications.