Search Results - "Algaba, Jesús"
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
Published in The journal of physical chemistry. B (27-10-2022)“…In this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and…”
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2
Simulation of the carbon dioxide hydrate-water interfacial energy
Published in Journal of colloid and interface science (01-10-2022)“…[Display omitted] Carbon dioxide hydrates are ice-like nonstoichiometric inclusion solid compounds with importance to global climate change, and gas…”
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3
Rotationally invariant local bond order parameters for accurate determination of hydrate structures
Published in Molecular physics (28-08-2024)Get full text
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4
Density functional theory for the prediction of interfacial properties of molecular fluids within the SAFT-γ coarse-grained approach
Published in RSC advances (29-06-2022)“…Recently, we have proposed the SAFT-VR Mie MF DFT approach [Algaba et al. , Phys. Chem. Chem. Phys. , 2019, 21 , 11937-11948] to investigate systems that…”
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5
Interfacial properties of square-well chains from molecular dynamics simulation
Published in Molecular physics (18-10-2023)“…Square-well (SW) potential is likely the simplest potential describing attractive and repulsive interactions. However, its discontinuous functional form makes…”
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Interfacial Properties of Tetrahydrofuran and Carbon Dioxide Mixture from Computer Simulation
Published in Journal of physical chemistry. C (19-07-2018)“…We determined the interfacial properties of the tetrahydrofuran + carbon dioxide (THF + CO2) binary mixture from direct simulation of the vapor–liquid…”
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7
Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols
Published in The journal of physical chemistry. B (24-09-2020)“…Literature studies on interfacial tension versus temperature between normal alcohols and water show that it increases with temperature and exhibits a maximum…”
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Phase Equilibria and Interfacial Properties of the Tetrahydrofuran + Methane Binary Mixture from Experiment and Computer Simulation
Published in Journal of physical chemistry. C (29-08-2019)“…We have determined the pressure-density diagram and the surface tension of the tetrahydrofuran + methane (THF + CH4) binary mixture from experiments at 300.15…”
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9
Island cartilage tympanoplasty in revision cases: anatomic and functional results
Published in European archives of oto-rhino-laryngology (01-10-2012)“…We report our experience with island cartilage tympanoplasty in revision cases and assess the anatomical and functional outcomes. We conducted a retrospective…”
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10
Expression of p63 and p73 in acoustic neuroma and its possible clinical relevance
Published in Acta otorrinolaringologica espanola (01-01-2012)“…Assess p63 and p73 expression in acoustic neuroma and its correlation with clinical and radiological findings. medical records of 34 patients who were operated…”
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11
Aerosol therapy in treatment of childhood otitis media with effusion
Published in Acta otorrinolaringológica española (01-07-2009)“…We address the efficacy of aerosol therapy in the treatment of otitis media with effusion during childhood. We study audiometric recovery in comparison with…”
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12
Island cartilage myringoplasty. Anatomical and functional results in 122 cases
Published in Acta otorrinolaringologica espanola (01-03-2010)“…In certain situations ("high risk perforations") such as large perforations, revision cases, middle ear pathology, eustachian tube dysfunction and atelectatic…”
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13
Phase equilibria and interfacial properties of selected methane + n-alkane binary mixtures
Published in Journal of molecular liquids (01-11-2021)“…[Display omitted] •Tensiometry and densimetry of methane + n-alkane binary mixtures.•Interfacial properties of methane + n-alkane binary mixtures from SAFT and…”
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14
Measurement and modeling of high pressure density and interfacial tension of carbon dioxide+tetrahydrofuran mixture
Published in The Journal of supercritical fluids (01-10-2017)“…[Display omitted] •High-pressure densities and interfacial tensions for CO2+THF mixture.•Experimental measurements were consistent with data available in…”
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15
Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation
Published 23-08-2024“…J. Chem. Phys. 159, 224707 (2023) In this work, we determine the dissociation line of the nitrogen (N$_2$) hydrate by computer simulation using the TIP4P/Ice…”
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16
Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy
Published 06-08-2024“…J. Chem. Phys. 161, 054712 (2024) In this work, we determine the dissociation line of the nitrogen (N$_{2}$) hydrate by computer simulation using the TIP4P/Ice…”
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17
Expression of p63 and p73 in Acoustic Neuroma and Its Possible Clinical Relevance
Published in Acta otorrinolaringológica española (English) (01-01-2012)Get full text
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18
Effect of pressure on the carbon dioxide hydrate-water interfacial free energy along its dissociation line
Published 12-09-2024“…J. Chem. Phys. 158, 194704 (2023) We investigate the effect of pressure on the carbon dioxide (CO$_{2}$) hydrate-water interfacial free energy along its…”
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19
Rotationally invariant local bond order parameters for accurate determination of hydrate structures
Published 31-08-2024“…Molecular Physics e2395438 (2024) Averaged local bond order parameters based on spherical harmonics, also known as Lechner and Dellago order parameters, are…”
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20
Simulation of the THF hydrate-water interfacial free energy from computer simulation
Published 23-08-2024“…J. Chem. Phys. 161, 064701 (2024) In this work, the tetrahydrofuran (THF) hydrate-water interfacial free energy is determined at $500\,\text{bar}$, at one…”
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