Author: Aaron Paul WemhoffPublisher:
ISBN:
Category :
Languages : en
Pages : 380
Book Description
Molecular Dynamics Studies of Liquid-vapor Interfacial Phenomena and Related Nanoscale Systems
Author: Aaron Paul WemhoffMolecular Dynamics Simulation of Liquid-vapor Interfacial Phenomena
Author: Aaron WemhoffComputational Studies of Interfacial Phenomena Via Nanoscale Modeling of Functionalized Surfaces
Author: Leebyn Thomas ChongPublisher:
ISBN:
Category : Molecular dynamics
Languages : en
Pages : 113
Book Description
Interfacial phenomena and the associated kinetic, thermodynamic and structural properties are relevant in a variety of applications spanning energy, sustainability and medicine. Catalytic materials for alternate energy sources are critically dependent upon nanoscale surface morphologies to control reactant adsorption. Similarly, heavy metal removal by pH responsive branched polymers relies on the chelating properties of the adsorbant. Finally, asymmetric functionalization of nanoparticles can be used to create nanomaterials via self-assembly for use in multi-functional drug delivery platforms. Although experimental investigations have successfully characterized materials with functionalized surfaces, the interfacial phenomena are poorly understood at the molecular level. Thus, efforts in computational modeling are used to explain surface mechanisms. However, all-atom simulations are computationally expensive, and are limited to capturing short spatiotemporal scales. This dissertation proposes new multiscale modeling tools and methodologies for designing functionalized surfaces for controlling interfacial phenomenon. Through implicit solvent force fields and coarse-graining schemes, simulations using models of functionalized surfaces are able to resolve longer length and time scales. Investigations of interfacial phenomena include water adsorption on titanium dioxide, lead ion capture by anchored polyamidoamine dendrons, and aggregation of polymer-grafted cowpea mosaic virus capsids, via the use of the molecular dynamics simulation technique. The new models are validated by comparisons with experiments and other computational studies, and are used to provide fundamental insight via characterization of the system properties.
Fluid Interfacial Phenomena
Author: Clive A. CroxtonPublisher:
ISBN:
Category : Science
Languages : en
Pages : 802
Book Description
Leading contributors describe state-of-the-art research in experimental and theoretical liquid interfacial phenomena. Areas covered include the intrinsic interface, dynamics at a liquid-vapour interface, structure and properties of the liquid-vapour interface of a simple metal, the electric double layer, light-scattering at the fluid interface, statistical mechanics of spherical surfaces, and properties of water layers adjacent to interfaces.
Interfacial Phenomena
Author: Clarence A. MillerPublisher: CRC Press
ISBN: 1420044435
Category : Science
Languages : en
Pages : 524
Book Description
Since the publication of the first edition of Interfacial Phenomena, the interest in interfaces and surfactants has multiplied, along with their applications. Experimental and theoretical advances have provided scientists with greater insight into the structure, properties, and behavior of surfactant and colloid systems. Emphasizing equil
Nanoscale Liquid-vapor Interfaces and Their Role in Microbubble Formation
Author: Jian-Gang WengMolecular Dynamics Studies of Interfacial Properties of Complex Liquid Systems
Author: Jian OuyangPublisher:
ISBN:
Category : Molecular dynamics
Languages : en
Pages : 444
Book Description
Liquid-Vapor Phase-Change Phenomena
Author: Van P. CareyPublisher: CRC Press
ISBN: 1498716636
Category : Science
Languages : en
Pages : 731
Book Description
Since the second edition of Liquid-Vapor Phase-Change Phenomena was written, research has substantially enhanced the understanding of the effects of nanostructured surfaces, effects of microchannel and nanochannel geometries, and effects of extreme wetting on liquid-vapor phase-change processes. To cover advances in these areas, the new third edition includes significant new coverage of microchannels and nanostructures, and numerous other updates. More worked examples and numerous new problems have been added, and a complete solution manual and electronic figures for classroom projection will be available for qualified adopting professors.
Dissertation Abstracts International
Author: Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 994
Book Description
Wettability and Interfacial Phenomena
Author: Rita KhannaPublisher: BoD – Books on Demand
ISBN: 1838805389
Category : Science
Languages : en
Pages : 160
Book Description
Wettability at the solid/liquid interface, its dynamics, tunability, the influence of operating parameters, surface and interfacial phenomena play an increasingly significant role in a wide variety of applications, for example, material processing, nanotechnology, oil recovery, oil spills, chemical leaching, water management, and disease transmission. Although a mature field, it is experiencing dramatic developments on several fronts with emerging applications in new fields. This book presents a collection of eight chapters on nanoscale wetting phenomena, oil extraction from reservoir rocks, the role of coatings, particle morphology, surface roughness and viscosity in metal processing, and practical applications of superhydrophobic behaviour in cell culturing, isolation, anti-icing, anti-reflective and anti-corrosion coatings in the transportation and optical devices fields.