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Wyszukujesz frazę "Functional groups" 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:
    Enhancing low-rank coal flotation using a mixture of dodecane and n-valeraldehyde as a collector
    Autorzy:
    Liu, Zechen
    Liao, Yinfei
    An, Maoyan
    Lai, Qingteng
    Ma, Longfei
    Qiu, Yuliang
    Powiązania:
    https://bibliotekanauki.pl/articles/109432.pdf
    Data publikacji:
    2019
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    mixed collector
    oxygen-containing functional groups
    adsorption mechanism
    low rank coal
    flotation
    Opis:
    Low-rank coals are difficult to float using common hydrocarbon oily collectors, such as dodecane and diesel. In this investigation, a mixture of dodecane and n-valeraldehyde was used as a collector to enhance low-rank coal flotation. The changes of the contact angle and surface functional groups of low-rank coal were measured before and after different collectors’ adsorption to indicate its absorption mechanism. Surface tension of different collectors was also measured to identify its spreading performance. The results showed that the flotation performance using the mixture as a collector was much better than that using dodecane or n-valeraldehyde solely. When used the mixture of dodecane and n-valeraldehyde as collector, dodecane primarily covers the hydrophobic sites while n-valeraldehyde primarily covered the hydrophilic sites by hydrogen bond promoting adsorption of dodecane at these sites. There existed synergistic effect between dodecane and n-valeraldehyde. Additionally, n-valeraldehyde can reduce the surface tensions to improve the spreading performance of mixed collector on low-rank coal surface. The improvement both in adsorption and spreading was responsible for the enhancement of low-rank coal flotation by using the mixture.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2019, 55, 1; 49-57
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Effect of the oxygen-containing functional group on the adsorption of hydrocarbon oily collectors on coal surfaces
    Autorzy:
    Wan, He
    Hu, Xianglin
    Luukkanen, Saija
    Qu, Juanping
    Zhang, Chonghui
    Xue, Jiwei
    Li, Hui
    Yang, Wei
    Yang, Shenghong
    Bu, Xianzhong
    Powiązania:
    https://bibliotekanauki.pl/articles/2146920.pdf
    Data publikacji:
    2022
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    oxygen-containing functional groups
    hydrocarbon oily collectors
    molecular dynamics simulation
    coal surfaces
    adsorption
    Opis:
    The oxygen-containing functional groups (OCFG) on the coal surface affect the adsorption effect of hydrocarbon oily collectors (HOC). An investigation of the interaction between the HOC and OCFG in the absence and presence of water is conducive to understanding the effect of OCFG type on the adsorption of HOC on the coal surface. In this paper, FTIR analysis was used to analyze the OCFG type of coal surface. The adsorption behavior of HOC on different OCFG surfaces was investigated using molecular dynamics simulation. The results indicated the presence of OCFG such as -OH, -COOH, -C=O, and -COCH3 on the coal surface. In conditions without water, the effect of OCFG on HOC adsorption capability follows the order -COOH > -C=O > -OH > -COCH3. In an aqueous solution, the effect of OCFG on HOC adsorption capability follows the order -C=O>-COCH3>-OH>-COOH. Moreover, the hydrophilicity of OCFG is the key factor that affects the adsorption effect of HOC. In other words, the adsorption effect of HOC on the coal surface in an aqueous solution does not depend on the strength of the interaction between the OCFG and HOC in the absence of water, but on the hydrophilicity of the OCFG. The -COOH and -OH on the coal surface are not conducive to the adsorption of HOC onto the coal surface. Masking the -COOH and -OH of the coal surface is beneficial in improving the coal flotation performance with HOC as a collector.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2022, 58, 4; art. no. 149937
    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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