Zobrazeno 1 - 10
of 93
pro vyhledávání: '"Roberto Fernández-Prini"'
Publikováno v:
Chemical Physics Letters. 637:13-17
We studied the entrance mechanism of methane molecules into bulk water by Molecular Dynamics simulation over a broad time window. We corroborated that the presence of absorbed methane, under the studied thermodynamic state (298 K and roughly 10 MPa),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2fe447d9c217d573df1cc0b8b17570e5
https://doi.org/10.1016/j.cplett.2015.07.045
https://doi.org/10.1016/j.cplett.2015.07.045
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
We studied the behavior of long chain alkanes (LCAs) as they were transferred from gas to bulk water, through the liquid-vapor interface. These systems were studied using umbrella sampling molecular dynamics simulation and we have calculated properti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd0496509bc54edb01b483fa401fc490
https://pubmed.ncbi.nlm.nih.gov/28810758
https://pubmed.ncbi.nlm.nih.gov/28810758
Publikováno v:
The Journal of Physical Chemistry B. 109:18949-18955
The UV-spectroscopic behavior of KI dissolved in supercritical ammonia enabled us to identify two species that contribute to the optical absorption depending on the fluid density rho1 and the temperature T. At low rho1 and high T, contact ion pairs (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d447ccf362c5a101d33de68f91704939
https://doi.org/10.1021/jp053446g
https://doi.org/10.1021/jp053446g
Publikováno v:
The Journal of Supercritical Fluids. 35:106-110
The solubilities of crystalline NaI, KI and CsI in supercritical ammonia (SCA) were determined for temperatures around 420 K and different ammonia densities smaller than the critical density using the spectral charge-transfer-to-solvent (ctts) band o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::baa56da83cdc7479d2aba4737aa64a1f
https://doi.org/10.1016/j.supflu.2004.12.013
https://doi.org/10.1016/j.supflu.2004.12.013
Publikováno v:
The Journal of Chemical Thermodynamics. 37:499-511
Ionic association between Cu2+(aq) and SO 4 2 - ( aq ) has been studied in the temperature range (298 to 473) K using a spectrophotometric technique. Experiments were designed to minimize the contribution of other protolytic equilibria in solution. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca9eb45cf8bc80643cb94e949a0b11ef
https://doi.org/10.1016/j.jct.2004.11.003
https://doi.org/10.1016/j.jct.2004.11.003
Publikováno v:
Chemical Physics Letters. 381:771-776
We report a modified simulation procedure to calculate partial molar quantities of dilute solutions in supercritical fluids through the Krichevskii function. This procedure circumvents the difficulties posed by the very large solvent compressibility
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4af9da260549450bbc85e88567a6f9f3
https://doi.org/10.1016/j.cplett.2003.10.050
https://doi.org/10.1016/j.cplett.2003.10.050
Publikováno v:
Journal of Physical and Chemical Reference Data. 32:903-916
We have developed correlations for the Henry’s constant kH and the vapor–liquid distribution constant KD for 14 solutes in H2O and seven solutes in D2O. The solutes considered are common gases that might be encountered in geochemistry or the powe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd57e42bff7582b13eff0d6ecb99ab47
https://doi.org/10.1063/1.1564818
https://doi.org/10.1063/1.1564818
Publikováno v:
Journal of Photochemistry and Photobiology A: Chemistry. 153:25-31
The kinetics of thermal conversion of a photogenerated merocyanine into its more stable spiropyrane form was studied in mixtures of ethanol with nonpolar solvents, toluene, n -hexane or CO 2 . For solutions of ethanol concentration higher than ca. 1.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f407ebb1b3be01e9dd5da1cc473eebd8
https://doi.org/10.1016/s1010-6030(02)00294-0
https://doi.org/10.1016/s1010-6030(02)00294-0
Thermodynamics of 4-methylphenol dissociation in water at high temperature using UV–Vis spectroscopy
Publikováno v:
The Journal of Chemical Thermodynamics. 34:1467-1479
The dissociation equilibrium of 4-methylphenol in aqueous solutions has been studied spectrophotometrically over the temperature range 298 to 448 K; at higher temperatures the anion decomposed appreciably. The solutions that were studied had differen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df9cee39ee3611748d909083f1085c33
https://doi.org/10.1016/s0021-9614(02)00203-3
https://doi.org/10.1016/s0021-9614(02)00203-3
Publikováno v:
The Journal of Chemical Physics. 117:220-225
The equilibrium distribution of dilute solutes between vapor and liquid coexisting phases of near-critical solvents exhibits a simple dependence on the solvent’s liquid density which extends over a wide temperature range; however, theory predicts t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a3da775e9fa9c33e73bfe135b73b518
https://doi.org/10.1063/1.1480862
https://doi.org/10.1063/1.1480862