The Experts below are selected from a list of 51 Experts worldwide ranked by ideXlab platform

Carbonell R. G. - One of the best experts on this subject based on the ideXlab platform.

  • Determination of the Liquid pool surfactant and protein concentration for semi-batch foam fractionation columns
    Brazilian Society of Chemical Engineering, 2015
    Co-Authors: Rosa P. T., Santana C. C., Carbonell R. G.
    Abstract:

    A model is derived for the change with time of the concentration of a surface-active component in the Liquid pool of a semi-batch foam fractionation process. The transport of surface-active material to the gas-Liquid interface was assumed to be limited by the mass transfer rates, and the concentration of the adsorbed material at the interface was assumed to be in equilibrium with the concentration of Liquid Adjacent to the bubble gas surface. This model was compared to experimental data obtained for semi-batch foam fractionation of aqueous solutions of bovine serum albumin and cetyltrimetylammonium bromide

  • Determination of the Liquid pool surfactant and protein concentration for semi-batch foam fractionation columns
    'FapUNIFESP (SciELO)', 2015
    Co-Authors: Rosa P. T., Santana C. C., Carbonell R. G.
    Abstract:

    A model is derived for the change with time of the concentration of a surface-active component in the Liquid pool of a semi-batch foam fractionation process. The transport of surface-active material to the gas-Liquid interface was assumed to be limited by the mass transfer rates, and the concentration of the adsorbed material at the interface was assumed to be in equilibrium with the concentration of Liquid Adjacent to the bubble gas surface. This model was compared to experimental data obtained for semi-batch foam fractionation of aqueous solutions of bovine serum albumin and cetyltrimetylammonium bromide.114Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq

Evan J Reed - One of the best experts on this subject based on the ideXlab platform.

  • uncovering the effects of interface induced ordering of Liquid on crystal growth using machine learning
    arXiv: Materials Science, 2020
    Co-Authors: Rodrigo Freitas, Evan J Reed
    Abstract:

    The process of crystallization is often understood in terms of the fundamental microstructural elements of the crystallite being formed, such as surface orientation or the presence of defects. Considerably less is known about the role of the Liquid structure on the kinetics of crystal growth. Here atomistic simulations and machine learning methods are employed together to demonstrate that the Liquid Adjacent to solid-Liquid interfaces presents significant structural ordering, which effectively reduces the mobility of atoms and slows down the crystallization kinetics. Through detailed studies of silicon and copper we discover that the extent to which Liquid mobility is affected by interface-induced ordering (IIO) varies greatly with the degree of ordering and nature of the Adjacent interface. Physical mechanisms behind the IIO anisotropy are explained and it is demonstrated that incorporation of this effect on a physically-motivated crystal growth model enables the quantitative prediction of the growth rate temperature dependence.

  • uncovering the effects of interface induced ordering of Liquid on crystal growth using machine learning
    Nature Communications, 2020
    Co-Authors: Rodrigo Freitas, Evan J Reed
    Abstract:

    The process of crystallization is often understood in terms of the fundamental microstructural elements of the crystallite being formed, such as surface orientation or the presence of defects. Considerably less is known about the role of the Liquid structure on the kinetics of crystal growth. Here atomistic simulations and machine learning methods are employed together to demonstrate that the Liquid Adjacent to solid-Liquid interfaces presents significant structural ordering, which effectively reduces the mobility of atoms and slows down the crystallization kinetics. Through detailed studies of silicon and copper we discover that the extent to which Liquid mobility is affected by interface-induced ordering (IIO) varies greatly with the degree of ordering and nature of the Adjacent interface. Physical mechanisms behind the IIO anisotropy are explained and it is demonstrated that incorporation of this effect on a physically-motivated crystal growth model enables the quantitative prediction of the growth rate temperature dependence. Crystallization is a challenging process to model quantitatively. Here the authors use machine learning and atomistic simulations together to uncover the role of the Liquid structure on the process of crystallization and derive a predictive kinetic model of crystal growth.

Zhongyun Fan - One of the best experts on this subject based on the ideXlab platform.

  • Atomic ordering in the Liquid Adjacent to an atomically rough solid surface
    Computational Materials Science, 2018
    Co-Authors: B. Jiang, H. Men, Zhongyun Fan
    Abstract:

    Abstract In this work, atomic ordering in the Liquid Adjacent to both crystalline and amorphous substrates with atomic level surface roughness was investigated systematically using molecular dynamics (MD) simulations. We found for the first time that increasing surface roughness of a crystalline substrate reduces both atomic layering and in-plane atomic ordering in the metallic Liquid Adjacent to the Liquid/substrate interface. In addition, our MD simulation results revealed that the rough surface of an amorphous substrate eliminates completely in-plane ordering in the Liquid regardless of surface roughness and reduces/eliminates atomic layering in the Liquid depending on the level of surface roughness. This reduced atomic ordering in the Liquid Adjacent to an atomically rough surface can be attributed to the increase in mobility of atoms in the Liquid compared with the case with a smooth crystalline surface. From the point of view of heterogeneous nucleation, in addition to the effect of lattice misfit investigated in our previous studies, this work provides further confirmation of the importance of structural templating as a mechanism for both prenucleation and heterogeneous nucleation. Furthermore, this work offers a new approach to impede heterogeneous nucleation by roughening the substrate surface at the atomic level.

Dominique Legendre - One of the best experts on this subject based on the ideXlab platform.

  • Influence of soluble surfactants and deformation on the dynamics of centered bubbles in cylindrical microchannels
    Langmuir, 2018
    Co-Authors: Omer Atasi, Benoit Haut, Annaig Pedrono, Benoit Scheid, Dominique Legendre
    Abstract:

    In this study, we investigate, using direct numerical simulation, the motion of a small bubble in a horizontal microchannel filled with a Liquid containing surfactants. In particular, we study the combined effect of surfactants and bubble deformability on the bubble shape, bubble−Liquid relative velocity, velocity field in the Liquid, Liquid velocity on the gas−Liquid interface, and surfactant distribution on the interface. The level-set method is used to capture the gas−Liquid interface. The surfactant transport equation on the gas−Liquid interface is solved in an Eulerian framework and is coupled to an equation describing the transport of surfactants inside the Liquid phase. The Marangoni stress, induced by surfactant concentration gradients, is computed using the continuum surface force model. The simulation results give insights into the complexity of the coupling of the different phenomena controlling the dynamics of the studied system. For instance, the results show that for values of the capillary number much smaller than unity, that is, for spherical bubbles, the bubble velocity decreases as the bubble diameter increases. Moreover, surfactants tend to decrease significantly the bubble velocity, when compared with a bubble with a clean surface. Indeed, they accumulate at a convergent stagnation point/circle on the bubble surface and deplete at a divergent stagnation point/circle. As a consequence, the velocity of the Liquid Adjacent to the bubble is reduced in between the convergent and divergent stagnation points/circles because of Marangoni stresses. It is shown that regarding the bubble−Liquid relative velocity, the bubble behaves as a rigid sphere when the Langmuir number is larger than unity, at least for the range of parameters explored in this study. For values of the capillary number of the order of unity, the bubble can take a “bullet shape”. In this case, the bubble velocity increases as the bubble diameter increases. This increase of the bubble−Liquid relative velocity is linked to a drastic change in the Liquid flow structure near the bubble. Surfactants are swept to the rear of the bubble and have less influence on the bubble dynamics than for spherical bubbles. Finally, it is shown that increasing the amount of surfactants adsorbing to the surface eventually leads to the bursting of the bubble.

Rosa P. T. - One of the best experts on this subject based on the ideXlab platform.

  • Determination of the Liquid pool surfactant and protein concentration for semi-batch foam fractionation columns
    Brazilian Society of Chemical Engineering, 2015
    Co-Authors: Rosa P. T., Santana C. C., Carbonell R. G.
    Abstract:

    A model is derived for the change with time of the concentration of a surface-active component in the Liquid pool of a semi-batch foam fractionation process. The transport of surface-active material to the gas-Liquid interface was assumed to be limited by the mass transfer rates, and the concentration of the adsorbed material at the interface was assumed to be in equilibrium with the concentration of Liquid Adjacent to the bubble gas surface. This model was compared to experimental data obtained for semi-batch foam fractionation of aqueous solutions of bovine serum albumin and cetyltrimetylammonium bromide

  • Determination of the Liquid pool surfactant and protein concentration for semi-batch foam fractionation columns
    'FapUNIFESP (SciELO)', 2015
    Co-Authors: Rosa P. T., Santana C. C., Carbonell R. G.
    Abstract:

    A model is derived for the change with time of the concentration of a surface-active component in the Liquid pool of a semi-batch foam fractionation process. The transport of surface-active material to the gas-Liquid interface was assumed to be limited by the mass transfer rates, and the concentration of the adsorbed material at the interface was assumed to be in equilibrium with the concentration of Liquid Adjacent to the bubble gas surface. This model was compared to experimental data obtained for semi-batch foam fractionation of aqueous solutions of bovine serum albumin and cetyltrimetylammonium bromide.114Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq