Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

Wyszukujesz frazę "Li, J. B." wg kryterium: Autor


Wyświetlanie 1-2 z 2
Tytuł:
Galvanic contacting effect of pyrite on xanthate adsorption on galena surface: DFT simulation and cyclic voltammetric measurements
Autorzy:
Ke, B.
Chen, J.
Li, Y.
Chen, Y.
Powiązania:
https://bibliotekanauki.pl/articles/110904.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
adsorption
DFT
galvanic interaction
pyrite surface
galena surface
cyclic voltammetric measurements
Opis:
The effect of galvanic interaction between pyrite and galena on xanthate adsorbing on the galena surface has been investigated by means of density functional theory (DFT) and cyclic voltammetric measurements. The calculated results show that differences in the contact site and contact distance between galena and pyrite can affect the intensity of the galvanic interaction, and the relationship between the intensity of galvanic interaction and the adsorption ability of xanthate on galena surface has been studied in detail. In general, the galvanic interaction between pyrite and galena surface can enhance the adsorption of xanthate on the galena surface. The adsorption energies of xanthate on the galena surface decrease with the decrease of contact distance, and when the contact distance is lower than 4 Å, the adsorption energies decrease significantly at Pb-Pb, Pb-S and S-S sites. In particular, at the contact distance of 3 Å, a sharp decrease of adsorption energy is observed at the Pb-Pb contact site; in this case, the negative shift of the Pb-S bonding range and DOS non-locality at Pb-Pb contact site are significantly greater than that of the S-S or Pb-S contact sites. The cyclic voltammetric measurements reveal that the galvanic interaction between galena and pyrite improves the adsorption of xanthate on galena surface, which is in good agreement with the DFT results.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 3; 826-836
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Quantum Chemical Study of Aminonitrocyclopentanes as Possible High Energy Density Materials (HEDMs)
Autorzy:
Bai, J.
Chi, W. J.
Li, L. L.
Yan, T.
Wen, X. E.
Li, B. T.
Wu, H. S.
Ma, F. L.
Powiązania:
https://bibliotekanauki.pl/articles/358101.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
cyclopentane derivatives
high energy density materials
impact sensitivity
quantum chemistry
DFT
available free space
Opis:
Nitro and amine groups were introduced into the cyclopentane skeleton, and the heats of formation, detonation performance, bond dissociation energies, and impact sensitivity for these aminonitrocyclopentanes were calculated in detail at the B3LYP/6-311G** level. The results show that all of the derivatives have negative heats of formation, which are influenced by the position of the substituent groups. Their stabilities were estimated and analyzed according to their bond dissociation energies and calculated characteristic H50 values. Most of the compounds were found to have a lower impact sensitivity than HMX. Furthermore, the detonation velocities and detonation pressures were predicted via the Kamlet-Jacobs equation. Of all these aminonitrocyclopentanes, E has the best detonation properties (ρ = 2.05 g/cm3, D = 9.11 m/s, P = 39.62 GPa) and can be considered as a candidate high energy density material.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 4; 467-480
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

    Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies