Výsledky vyhledávání - "Mohammed Barj"

Free Energy of Mixing of Acetone and Methanol: A Computer Simulation Investigation

Autor: Pál Jedlovszky, Bogdan A. Marekha, Kamil Polok, Mohammed Barj, Abdenacer Idrissi, Mikhail G. Kiselev

Publikováno v: Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2013, 117, pp.16157-16164. ⟨10.1021/jp405090j⟩
Journal of Physical Chemistry B, 2013, 117, pp.16157-16164. ⟨10.1021/jp405090j⟩

The change of the Helmholtz free energy, internal energy, and entropy accompanying the mixing of acetone and methanol is calculated in the entire composition range by the method of thermodynamic integration using three different potential model combi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::467c10bd4329ac506c0ba7d4877d6f31
https://doi.org/10.1021/jp405090j

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Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

Autor: Bogdan A. Marekha, Vasilios Raptis, Abdenacer Idrissi, Jannis Samios, François-Alexandre Miannay, Toshiyuki Takamuku, Pál Jedlovszky, Mohammed Barj

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, 2017, 146, pp.234507. ⟨10.1063/1.4985630⟩
Journal of Chemical Physics, American Institute of Physics, 2017, 146, pp.234507. ⟨10.1063/1.4985630⟩
Journal of Chemical Physics, American Institute of Physics, 2017, 146 (23), ⟨10.1063/1.4985630⟩
Journal of Chemical Physics, American Institute of Physics, 2017, 146, pp.234507. 〈10.1063/1.4985630〉

International audience; The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4881be25ec9e1f5744d772095cc4195f
https://hal.science/hal-01579788

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Luteolin organic solvent interactions. A molecular dynamics simulation analysis

Autor: Khadidja Smail, Abdenacer Idrissi, Noureddine Tchouar, Bogdan A. Marekha, Mohammed Barj

Publikováno v: Journal of Molecular Liquids
Journal of Molecular Liquids, Elsevier, 2015, 212, pp.503-508. ⟨10.1016/j.molliq.2015.09.043⟩
Journal of Molecular Liquids, 2015, 212, pp.503-508. ⟨10.1016/j.molliq.2015.09.043⟩

Molecular dynamics (MD) simulations have been performed on Luteolin (Lut) dissolved in various solvents (methanol, 1-propanol, 2-propanol, 1-butanol, dimethylsulfoxide, acetone and hexane) with the purpose to characterize the local structure around t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91941745b12c8f11dd39b960161abba0
https://hal.archives-ouvertes.fr/hal-01244300

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Investigation of the ability of the corrosion protection of Zn-Mg coatings

Autor: Brahim Talhi, Hana Ferkous, Sabine Szunerits, Mohammed Barj, Rabah Boukherroub

Publikováno v: Open Corrosion Journal
Open Corrosion Journal, Bentham Open, 2009, 2, pp.26-31. ⟨10.2174/1876503300902010026⟩
Open Corrosion Journal, 2009, 2, pp.26-31. ⟨10.2174/1876503300902010026⟩

Presently Zn-Mg coatings are being developed as a contribution to next generation of galvanized steel. However, the underlying corrosion mechanism is still under debate. In this paper we show that Raman spectroscopy next to electrochemical methods (l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4629b54e7dcbbbf881ccdb91904ecbc
https://hal.archives-ouvertes.fr/hal-00416436

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