Search Results - "Blas, F. J"

Harmonisation of in-silico next-generation sequencing based methods for diagnostics and surveillance by Nunez-Garcia, J., AbuOun, M., Storey, N., Brouwer, M. S., Delgado-Blas, J. F., Mo, S. S., Ellaby, N., Veldman, K. T., Haenni, M., Châtre, P., Madec, J. Y., Hammerl, J. A., Serna, C., Getino, M., La Ragione, R., Naas, T., Telke, A. A., Glaser, P., Sunde, M., Gonzalez-Zorn, B., Ellington, M. J., Anjum, M. F.

“…Improvements in cost and speed of next generation sequencing (NGS) have provided a new pathway for delivering disease diagnosis, molecular typing, and…”
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Transferable SAFT-VR Models for the Calculation of the Fluid Phase Equilibria in Reactive Mixtures of Carbon Dioxide, Water, and n-Alkylamines in the Context of Carbon Capture by Mac Dowell, N, Pereira, F. E, Llovell, F, Blas, F. J, Adjiman, C. S, Jackson, G, Galindo, A

“…The amine functional groups are fundamental building blocks of many molecules that are central to life, such as the amino acids, and to industrial processes,…”
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Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach by Míguez, J. M, Piñeiro, M. M, Algaba, J, Mendiboure, B, Torré, J. P, Blas, F. J

“…The high-pressure phase diagrams of the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) mixtures are examined using the SAFT-VR approach…”
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An Examination of the Ternary Methane + Carbon Dioxide + Water Phase Diagram using the SAFT-VR Approach by Míguez, J. M, dos Ramos, M. C, Piñeiro, M. M, Blas, F. J

“…In this work, the molecular based Variable Range Statistical Associating Fluid Theory (SAFT-VR) has been used to estimate the global phase equilibria diagram…”
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Spread of mcr-1-carrying Enterobacteriaceae in sewage water from Spain by Ovejero, C M, Delgado-Blas, J F, Calero-Caceres, W, Muniesa, M, Gonzalez-Zorn, B

“…The mobile colistin resistance gene mcr-1 has been identified worldwide in human and animal sources, while its occurrence in the environment is still largely…”
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Adsorption and interfacial phenomena of a Lennard-Jones fluid adsorbed in slit pores: DFT and GCMC simulations by Míguez, J. M., Gómez-Álvarez, P., Piñeiro, M. M., Mendiboure, B., Blas, F. J.

“…Confinement of fluids in porous media leads to the presence of solid-fluid (SF) interfaces that play a key role in many different fields. The experimental…”
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Determination of interfacial tension of binary mixtures from perturbative approaches by Martínez-Ruiz, F.J., Blas, F.J.

“…We determine the interfacial properties of mixtures of spherical Lennard-Jones molecules from direct simulation of the vapour-liquid interface. We consider…”
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Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation by Algaba, Jesús, Romero-Guzmán, Cristóbal, Torrejón, Miguel J, Blas, F. J

“…J. Chem. Phys. 160, 164718 (2024) In this work, the univariant two-phase coexistence line of the hydrate of tetrahydrofuran (THF) is determined from 100 to…”
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Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters by Blas, F.J., Galindo, A.

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Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate by Algaba, J, Blazquez, S, Feria, E, Míguez, J. M, Conde, M. M, Blas, F. J

“…J. Chem. Phys. 160, 164722 (2024) In this work, the effects of finite size on the determination of the three-phase coexistence temperature ($T_3$) of carbon…”
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Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate by Blazquez, S, Algaba, J, Míguez, J. M, Vega, C, Blas, F. J, Conde, M. M

“…J. Chem. Phys. 160, 164721 (2024) Clathrate hydrates are vital in energy research and environmental applications. Understanding their stability is crucial for…”
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Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates by Algaba, J, Blazquez, S, Míguez, J. M, Conde, M. M, Blas, F. J

“…J. Chem. Phys. 160, 164723 (2024) In this work, the effect of the range of the dispersive interactions in the determination of the three-phase coexistence line…”
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Prediction of Binary and Ternary Diagrams Using the Statistical Associating Fluid Theory (SAFT) Equation of State by Blas, Felipe J, Vega, Lourdes F

“…A modified statistical associating fluid theory (SAFT) equation of state has been applied to predict the phase equilibria behavior of binary and ternary…”
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Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes by Colina, C.M., Galindo, A., Blas, F.J., Gubbins, K.E.

“…The phase behavior of mixtures containing carbon dioxide, n-alkanes and n-perfluoroalkanes is studied using the statistical associating fluid theory for…”
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Thermal spray coatings for molten carbonate fuel cells separator plates by Agüero, A, Garcı́a de Blas, F.J, Garcı́a, M.C, Muelas, R, Román, A

“…Molten salt corrosion at the wet seal of separator plates is one of the principal life-limiting factors of molten carbonate fuel cells (MCFC). The wet seal…”
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Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory by BLAS, FELIPE J., GALINDO, AMPARO, VEGA, CARLOS

“…The phase diagram of flexible molecules formed by freely-jointed tangent spheres is studied using the first-order thermodynamic perturbation theory of Wertheim…”
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Tricritical phenomena in chain-like mixtures from a molecular-based equation of state by Vega, Lourdes F, Blas, Felipe J

“…A molecular-based equation, the Soft-SAFT (from Statistical Associating Fluid Theory) equation of state, is applied to study the three-phase region of binary…”
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Molecular modeling of flexible molecules. Vapor–liquid and fluid–solid equilibria by Vega, C., MacDowell, L.G., McBride, C., Blas, F.J., Galindo, A., Sanz, E.

“…We consider recent applications of Wertheim's first order perturbation theory (TPT1) to the description of the critical properties and the freezing transition…”
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Prediction of the Vapor−Liquid Interfacial Tension of Nonassociating and Associating Fluids with the SAFT-VR Density Functional Theory by Gloor, Guy J., Jackson, George, Blas, F. J., del Río, E. Martín, de Miguel, E.

“…The SAFT-VR DFT Helmholtz free energy density functional [Gloor, G. J.; Jackson, G.; Blas, F. J.; Martín del Río, E.; de Miguel, E. J. Chem. Phys. 2004, 121,…”
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Thermodynamic behaviour of homonuclear and heteronuclear Lennard-Jones chains with association sites from simulation and theory by BLAS, FELIPE, VEGA, LOURDES

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