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Simulation of the CO2 hydrate-water interfacial energy: The mold integration-guest methodology.
Zerón IM, Míguez JM, Mendiboure B, Algaba J, Blas FJ. Zerón IM, et al. Among authors: algaba j. J Chem Phys. 2022 Oct 7;157(13):134709. doi: 10.1063/5.0101746. J Chem Phys. 2022. PMID: 36209019
There exist in the literature only two independent experimental measurements of this thermodynamic magnitude: one obtained by Uchida et al. [J. Phys. Chem. B 106, 8202 (2002)], 28(6) mJ/m(2), and the other by Anderson and co-workers [J. Phys. Chem. B 107, 3507 (2003 …
There exist in the literature only two independent experimental measurements of this thermodynamic magnitude: one obtained by Uchida et al. …
Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters.
Feria E, Algaba J, Míguez JM, Mejía A, Blas FJ. Feria E, et al. Among authors: algaba j. Phys Chem Chem Phys. 2022 Mar 2;24(9):5371-5382. doi: 10.1039/d1cp05346a. Phys Chem Chem Phys. 2022. PMID: 35170596
Methyl esters are modelled using new parametrizations based on the united atom TraPPE model force field proposed recently by us [E. Feria, J. Algaba, J. M. Miguez, A. Mejia, P. Gomez-Alvarez and F. J. Blas, Phys. ...
Methyl esters are modelled using new parametrizations based on the united atom TraPPE model force field proposed recently by us [E. Feria, …
Simulation of the carbon dioxide hydrate-water interfacial energy.
Algaba J, Acuña E, Míguez JM, Mendiboure B, Zerón IM, Blas FJ. Algaba J, et al. J Colloid Interface Sci. 2022 Oct;623:354-367. doi: 10.1016/j.jcis.2022.05.029. Epub 2022 May 12. J Colloid Interface Sci. 2022. PMID: 35594594 Free article.
39 results