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Wyszukujesz frazę "water dynamics" wg kryterium: Temat

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    Wyświetlanie 1-3 z 3
    Tytuł:
    Structure and dynamics of water adsorbed on the lignite surface: Molecular dynamics simulation
    Autorzy:
    You, Xiaofang
    He, Meng
    Cao, Xiaoqiang
    Lyu, Xianjun
    Li, Lin
    Powiązania:
    https://bibliotekanauki.pl/articles/109688.pdf
    Data publikacji:
    2019
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    low rank coal
    water molecule
    oxygen-containing functional groups
    molecular dynamics
    Opis:
    The effects of oxygen-containing functional groups on the structure and dynamic properties of water molecules near a lignite surface were investigated through molecular dynamics (MD) simulations. Because of its complex composition and structure, a graphite surface containing hydroxyl, carboxyl, and carbonyl groups was used to represent the lignite surface model. According to X-ray photoelectron spectroscopic (XPS) results, the composing proportion of hydroxyl, carbonyl and carboxyl is 21:13:6. The density profiles of oxygen and hydrogen atoms indicate that the brown coal surface characteristics influence the structural and dynamic properties of water molecules. The interfacial water is much more ordered than bulk water. The results of the radial distribution functions, mean square displacements, and local self-diffusion coefficients for the water molecules in the vicinity of three oxygen-containing functional groups confirmed that carboxyl groups are the preferential adsorption sites.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2019, 55, 1; 10-20
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Molecular dynamics simulations study of nano bubble attachment at hydrophobic surfaces
    Autorzy:
    Jin, J.
    Dang, L. X.
    Miller, J. D.
    Powiązania:
    https://bibliotekanauki.pl/articles/109533.pdf
    Data publikacji:
    2018
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    molecular dynamics simulations (MDS)
    film stability
    bubble attachment
    interfacial water structure
    Opis:
    Bubble attachment phenomena are examined using Molecular Dynamics Simulations (MDS) for the first time. The simulation involves a nitrogen nano bubble containing 906 nitrogen molecules in a water phase with 74,000 water molecules at molybdenite surfaces. During a simulation period of 1 ns, film rupture and displacement occurs. The attached nanobubble at the hydrophobic molybdenite face surface results in a contact angle of about 90º. This spontaneous attachment is due to a “water exclusion zone” at the molybdenite face surface and can be explained by a van der Waals (vdW) attractive force, as discussed in the literature. In contrast, the film is stable at the hydrophilic quartz (001) surface and the bubble does not attach. Contact angles determined from MD simulations are reported, and these results agree well with experimental and MDS sessile drop results. In this way, film stability and bubble attachment are described with respect to interfacial water structure for surfaces of different polarity. Interfacial water molecules at the hydrophobic molybdenite face surface have relatively weak interactions with the surface when compared to the hydrophilic quartz (001) surface, as revealed by the presence of a 3 Å “water exclusion zone” at the molybdenite/water interface. The molybdenite armchair-edge and zigzag-edge surfaces show a comparably slow process for film rupture and displacement when compared to the molybdenite face surface, which is consistent with their relatively weak hydrophobic character.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2018, 54, 1; 89-101
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Study of flow behaviour in a three products hydrocyclone screen: numerical simulation and experimental validation
    Autorzy:
    Wang, Chuanzhen
    Chen, Jianzhong
    Shen, Lijuan
    Ge, Linhan
    Powiązania:
    https://bibliotekanauki.pl/articles/109798.pdf
    Data publikacji:
    2019
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    three productshydrocyclone screen
    flow behaviour
    Computational Fluid Dynamics
    particle image velocimetry
    water split
    Opis:
    A novel three products hydrocyclone screen (TPHS) has been successfully developed; it consists of a cylindrical screen embedded in a conventional hydrocyclone (CH). In the new liquid cyclone, the combination of centrifugal classification and screening was employed for particle separation based on size. The aim of this study is to investigate the flow behaviour in TPHS using numerical simulation and experimental validation. A computational fluid dynamics simulation with a 4.35 million grid scheme and linear pressure–strain RSM generated the economic and grid-independence solution, which agreed well with the experiments of particle image velocimetry and water split. The velocity vector profile reveals that TPHS represented similar flow patterns to CH, wherein in addition to the outer downward swirl flow, inner upward swirl flow, central down-flow, second circulatory flow, and mantle, a particular fluid flow named screen underflow was created in TPHS owing to the presence of a cylindrical screen. The velocity distribution demonstrates that in TPHS, relative to CH, with the increase in radius, the lower tangential and higher radial velocity first increased to a peak and subsequently decreased, while the axial velocity primarily reduced to zero, increased in the opposite direction, and finally decreased rapidly to zero again. In addition, a disadvantageous flow, namely, screen backflow, was generated in TPHS, wherein the farther away the flow is from the feed inlet, the earlier this flow behaviour occurred. However, the rational scheme of aperture size and screen length can completely remove the screen backflow in TPHS.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2019, 55, 4; 879-895
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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