Publications
201 results found
Muscatello J, Bresme F, 2011, A comparison of Coulombic interaction methods in non-equilibrium studies of heat transfer in water, JOURNAL OF CHEMICAL PHYSICS, Vol: 135, ISSN: 0021-9606
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- Citations: 24
Martinez H, Chacon E, Tarazona P, et al., 2011, The intrinsic interfacial structure of ionic surfactant monolayers at water-oil and water-vapour interfaces, PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, Vol: 467, Pages: 1939-1958, ISSN: 1364-5021
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- Citations: 36
Bresme F, Chacon E, Martinez H, et al., 2011, Adhesive transitions in Newton black films: A computer simulation study, JOURNAL OF CHEMICAL PHYSICS, Vol: 134, ISSN: 0021-9606
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- Citations: 25
Muscatello J, Roemer F, Sala J, et al., 2011, Water under temperature gradients: polarization effects and microscopic mechanisms of heat transfer, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 13, Pages: 19970-19978, ISSN: 1463-9076
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- Citations: 31
Wynveen A, Bresme F, 2010, Properties of alkali-halide salt solutions about polarizable nanoparticle solutes for different ion models, JOURNAL OF CHEMICAL PHYSICS, Vol: 133, ISSN: 0021-9606
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- Citations: 12
Mohammad-Aghaie D, Mace E, Sennoga CA, et al., 2010, Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 114, Pages: 1325-1335, ISSN: 1520-6106
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- Citations: 36
Bresme F, Chacon E, Tarazona P, 2010, Force-field dependence on the interfacial structure of oil-water interfaces, MOLECULAR PHYSICS, Vol: 108, Pages: 1887-1898, ISSN: 0026-8976
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- Citations: 23
Bresme F, Artacho E, 2010, Electronic structure computations of Newton Black Films, JOURNAL OF MATERIALS CHEMISTRY, Vol: 20, Pages: 10351-10358, ISSN: 0959-9428
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- Citations: 10
Lervik A, Bresme F, Kjelstrup S, et al., 2010, Heat transfer in protein-water interfaces, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 12, Pages: 1610-1617, ISSN: 1463-9076
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- Citations: 84
Bresme F, Lehle H, Oettel M, 2009, Solvent-mediated interactions between nanoparticles at fluid interfaces, JOURNAL OF CHEMICAL PHYSICS, Vol: 130, ISSN: 0021-9606
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- Citations: 29
Alejandre J, Chapela GA, Bresme F, et al., 2009, The short range anion-H interaction is the driving force for crystal formation of ions in water, JOURNAL OF CHEMICAL PHYSICS, Vol: 130, ISSN: 0021-9606
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- Citations: 60
Lervik A, Bresme F, Kjelstrup S, 2009, Heat transfer in soft nanoscale interfaces: the influence of interface curvature, SOFT MATTER, Vol: 5, Pages: 2407-2414, ISSN: 1744-683X
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- Citations: 59
Bresme F, Duffy D, Woodley S, 2009, Untitled, MOLECULAR SIMULATION, Vol: 35, Pages: 531-531, ISSN: 0892-7022
Alejandre J, Bresme F, Gonzalez-Melchor M, 2009, Interfacial properties of charge asymmetric ionic liquids, MOLECULAR PHYSICS, Vol: 107, Pages: 357-363, ISSN: 0026-8976
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- Citations: 13
Lervik A, Bresme F, Kjelstrup S, 2009, Heat transfer in soft nanoscale interfaces: the influence of interface curvature, SOFT MATTER, Vol: 5, Pages: 2407-2414, ISSN: 1744-683X
We investigate, using transient non-equilibrium molecular-dynamics simulations, heat-transfer through nanometer-scale interfaces consisting of n-decane (2-12 nm diameter) droplets in water. Using computer simulation results of the temperature relaxation of the nanodroplet as a function of time we have computed the thermal conductivity and the interfacial conductance of the droplet and the droplet/water interface respectively. We find that the thermal conductivity of the n-decane droplets is insensitive to droplet size, whereas the interfacial conductance shows a strong dependence on the droplet radius. We rationalize this behavior in terms of a modification of the n-decane/water surface-tension with droplet curvature. This enhancement in interfacial conductance would contribute, in the case of a suspension, to an increase in the thermal conductivity with decreasing particle radius. This notion is consistent with recent experimental studies of nanofluids. We also investigate the accuracy of different diffusion equations to model the temperature relaxation in non stationary non equilibrium processes. We show that the modeling of heat transfer across a nanodroplet/fluid interface requires the consideration of the thermal conductivity of the nanodroplet as well as the temperature discontinuity across the interface. The relevance of this result in diffusion models that neglect thermal conductivity effects in the modeling of the temperature relaxation is discussed.
Tay KA, Bresme F, 2009, Kinetics of hydrogen-bond rearrangements in bulk water, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 11, Pages: 409-415, ISSN: 1463-9076
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- Citations: 16
Bresme F, Chacon E, Tarazona P, et al., 2008, Intrinsic structure of hydrophobic surfaces:: The oil-water interface, PHYSICAL REVIEW LETTERS, Vol: 101, ISSN: 0031-9007
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- Citations: 66
Bresme F, 2008, Computer simulations and thermodynamics of anisotropic nanoparticles at fluid interfaces, The European Physical Journal B, Vol: 64, Pages: 487-491
Bresme F, 2008, Computer simulations and thermodynamics of anisotropic nanoparticles at fluid interfaces, EUROPEAN PHYSICAL JOURNAL B, Vol: 64, Pages: 487-491, ISSN: 1434-6028
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- Citations: 8
Bresme F, Lervik A, Bedeaux D, et al., 2008, Water polarization under thermal gradients, PHYSICAL REVIEW LETTERS, Vol: 101, ISSN: 0031-9007
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- Citations: 88
Bresme F, Wynveen A, 2008, Interactions of polarizable media in water and the hydrophobic interaction, Conference on Aspects of Physical Biology, Publisher: SPRINGER-VERLAG BERLIN, Pages: 43-62, ISSN: 0075-8450
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- Citations: 2
Bresme F, Wynveen A, 2008, Interactions of polarizable media in water and the hydrophobic interaction, Aspects of Physical Biology: Biological water, protein solutions, transport and replication, Editors: Franzese, Rubi, Berlin Heidelberg, Publisher: Springer, Pages: 43-62
Bresme F, Chacon E, Tarazona P, 2008, Molecular dynamics investigation of the intrinsic structure of water-fluid interfaces <i>via</i> the intrinsic sampling method, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 10, Pages: 4704-4715, ISSN: 1463-9076
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- Citations: 60
Bresme F, Oettel M, 2007, Nanoparticles at fluid interfaces, Journal of Physics: Condensed Matter, Vol: 19
Bresme F, Oettel M, 2007, Nanoparticles at fluid interfaces, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 19, ISSN: 0953-8984
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- Citations: 361
Bresme F, Oettel M, 2007, Nanoparticles at fluid interfaces - art. no. 413101, International Workshop on Current Challenges in Liquid and Glass Science, Pages: 13101-13101
Nanoparticles at fluid interfaces are becoming a central topic in colloid science studies. Unlike in the case of colloids in suspensions, the description of the forces determining the physical behavior of colloids at interfaces still represents an outstanding problem in the modern theory of colloidal interactions. These forces regulate the formation of complex two-dimensional structures, which can be exploited in a number of applications of technological interest; optical devices, catalysis, molecular electronics or emulsions stabilization. From a fundamental viewpoint and typical for colloidal systems, nanoparticles and microparticles at interfaces are ideal experimental and theoretical models for investigating questions of relevance in condensed matter physics, such as the phase behavior of two-dimensional fluids.This review is a topical survey of the stability, self-assembly behavior and mutual interactions of nanoparticles at fluid interfaces. Thermodynamic models offer an intuitive approach to explaining the interfacial stability of nanoparticles in terms of a few material properties, such as the surface and line tensions. A critical discussion of the theoretical basis, accuracy, limitations, and recent predictions of the thermodynamic models is provided. We also review recent work concerned with nanoparticle self-assembly at fluid interfaces. Complex two-dimensional structures varying considerably with the particle nature have been observed in a number of experiments. We discuss the self-assembly behavior in terms of nanoparticle composition, focusing on sterically stabilized, charged and magnetic nanoparticles. The structure of the two-dimensional assemblies is a reflection of complex intercolloidal forces. Unlike the case for bulk colloidal suspensions, which often can be described reasonably well using DLVO (Derjaguin - Landau - Verwey - Overbeek) theory, the description of particles at interfaces requires the consideration of interfacial deformations as we
Bresme F, Faraudo J, 2007, Orientational transitions of anisotropic nanoparticles at liquid-liquid interfaces, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 19, ISSN: 0953-8984
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- Citations: 31
Alejandre J, Bresme F, Gonzalez-Melchor M, 2007, Effect of softness of the potential on the stress anisotropy in liquids, Journal of Chemical Physics
Bresme F, Wynveen A, 2007, On the influence of solute polarizability on the hydrophobic interaction, JOURNAL OF CHEMICAL PHYSICS, Vol: 126, ISSN: 0021-9606
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- Citations: 27
Beardmore RE, Peplow AT, Bresme F, 2007, A numerical bifurcation analysis of the Ornstein-Zernike equation with hypernetted chain closure, SIAM JOURNAL ON SCIENTIFIC COMPUTING, Vol: 29, Pages: 2442-2463, ISSN: 1064-8275
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