Search Results - "Martins, Luís F.G."

Influence of Ionic Liquids on the Aggregation and Pre-aggregation Phenomena of Asphaltenes in Model Solvent Mixtures by Molecular Dynamics Simulations and Quantum Mechanical Calculations by Celia-Silva, Lucas G., Martins, Rafaela N., Carvalho, Alfredo J. Palace, Ramalho, João P. Prates, Morgado, Pedro, Filipe, Eduardo J.M., Martins, Luís F.G.

“…This work presents a systematic study of asphaltene pre-aggregation phenomena in the absence and in the presence of ionic liquids (ILs) from the family of…”
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Viscosity of liquid systems involving hydrogenated and fluorinated substances: Liquid mixtures of (hexane+perfluorohexane) by Morgado, Pedro, Black, Jana, Lewis, J. Ben, Iacovella, Christopher R., McCabe, Clare, Martins, Luís F.G., Filipe, Eduardo J.M.

“…The viscosity of (hexane+perfluorohexane) mixtures has been measured at 298K, 303K and 308K, over the whole composition range. The results show large negative…”
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Thermodynamics of liquid (nitrogen + ethane) by Guedes, Henrique J.R, Zollweg, John A, Filipe, Eduardo J.M, Martins, Luı́s F.G, Calado, Jorge C.G

“…The equilibrium vapour pressure of liquid {xN2+ (1 − x)C2H6}(l) has been measured atT= 90.69 K. The excess molar Gibbs energiesGmE have been calculated as a…”
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Understanding the interactions of imidazolium-based ionic liquids with cell membrane models by Mendonça, Carlos M N, Balogh, Debora T, Barbosa, Simone C, Sintra, Tânia E, Ventura, Sónia P M, Martins, Luís F G, Morgado, Pedro, Filipe, Eduardo J M, Coutinho, João A P, Oliveira, Osvaldo N, Barros-Timmons, Ana

“…Cell membrane models have been used to evaluate the interactions of various imidazolium-based ionic liquids (ILs) with Langmuir monolayers of two types of…”
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Alkane Coiling in Perfluoroalkane Solutions: A New Primitive Solvophobic Effect by Morgado, Pedro, Garcia, Ana Rosa, Martins, Luís F. G, Ilharco, Laura M, Filipe, Eduardo J. M

“…In this work, we demonstrate that n-alkanes coil when mixed with perfluoroalkanes, changing their conformational equilibria to more globular states, with a…”
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Liquid Mixtures Involving Hydrogenated and Fluorinated Alcohols: Thermodynamics, Spectroscopy, and Simulation by Morgado, Pedro, Garcia, Ana Rosa, Ilharco, Laura M, Marcos, João, Anastácio, Martim, Martins, Luís F. G, Filipe, Eduardo J. M

“…This article reports a combined thermodynamic, spectroscopic, and computational study on the interactions and structure of binary mixtures of hydrogenated and…”
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Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions by Silva, Gonçalo M.C., Morgado, Pedro, Haley, Jessica D., Montoya, Víctor Manuel Trejos, McCabe, Clare, Martins, Luís F.G., Filipe, Eduardo J.M.

“…The vapor pressure of four liquid 1H,1H-perfluoroalcohols (CF3(CF2)n(CH2)OH, n = 1, 2, 3, 4), often called odd-fluorotelomer alcohols, was measured as a…”
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Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations by Damião, Guilherme, Morgado, Pedro, Silva, Pedro, Martins, Luís F.G., McCabe, Clare, Filipe, Eduardo J.M.

“…Intra-diffusion coefficients of five perfluorinated surfactants (PFAS) (perfluorobutanesulfonic acid (PFBS), perfluorohexanesulfonic acid (PFHxS),…”
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Prediction of diffusion coefficients of chlorophenols in water by computer simulation by Martins, Luís F.G., Parreira, M. Cristina B., Ramalho, João P. Prates, Morgado, Pedro, Filipe, Eduardo J.M.

“…Intra-diffusion coefficients of seven chlorophenols (2-chlorophenol, 3-chlorophenol, 4-chlorophenol, 2,4-dichlorophenol, 2,6-dichlorophenol,…”
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On the diffusion of ketoprofen and ibuprofen in water: An experimental and theoretical approach by Mendes, Felisberto S., Cruz, Carlos E.M., Martins, Rafaela N., Prates Ramalho, João P., Martins, Luís F.G.

“…•Mutual diffusion coefficients of ketoprofen and ibuprofen in water were measured at infinite dilution as function of temperature.•Molecular dynamics…”
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On the diffusion of carbamazepine, acetaminophen and atenolol in water: An experimental and theoretical approach by Mendes, Felisberto S., Gonçalves, Alexandre D.A., Guiomar, Filipa I.S., Martins, Rafaela N., Ramalho, João P.Prates, Martins, Luís F.G.

“…Due to their intensive use, pharmaceuticals are now considered emerging pollutants which are able to contaminate both surface and groundwater resources. The…”
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Influence of Ionic Liquids on the Aggregation and Preaggregation Phenomena of Asphaltenes in Model Solvent Mixtures by Molecular Dynamics Simulations and Quantum Mechanical Calculations: The Effect of Cation’s Shape and Size by Martins, Rafaela N., Celia-Silva, Lucas G., Ramalho, João P. Prates, Morgado, Pedro, Filipe, Eduardo J. M., Martins, Luís F. G.

“…The merits of ionic liquids (ILs) as additives to influence the solid–liquid behavior of asphaltenes in crude oil models have been well-established in…”
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Solubility of xenon in liquid n-alkanes and cycloalkanes by computer simulation. Towards the perfect anaesthetic by Martins, Luís F.G., Palace Carvalho, Alfredo J., Morgado, Pedro, Filipe, Eduardo J.M.

“…•Solubility of xenon in n-alkanes and cycloalkanes was predicted by simulations.•Solute-solvent interaction energy decreases with the increasing CH3 of the…”
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Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water by Martins, Luís F.G., Pereira, Luís A.M., Silva, Gonçalo M.C., Ascenso, José R., Morgado, Pedro, Ramalho, João P. Prates, Filipe, Eduardo J.M.

“…Intra-diffusion coefficients of three fluorinated alcohols, 2,2,3,3,3-pentafluoropropan-1-ol (PFP), 2,2,3,3,4,4,4-heptafluorobutan-1-ol (HFB) and…”
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Preaggregation of Asphaltenes in the Presence of Natural Polymers by Molecular Dynamics Simulation by Celia-Silva, Lucas G, Vilela, Patrícia B, Morgado, Pedro, Lucas, Elizabete F, Martins, Luís F. G, Filipe, Eduardo J. M

“…Cashew nut shell liquid (CNSL), its extract, cardanol, and polycardanol, are known to influence the dispersion behavior of asphaltenes in model solvent…”
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Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations by Machacaz, Diogo, Eusébio, Tiago M., Guarda, Cátia, Silva, Gonçalo M. C., Morgado, Pedro, Martins, Luís F. G., Canongia Lopes, José N. A., Filipe, Eduardo J. M.

“…The liquid density of five liquid 1H,1H-perfluorinated alcohols (CF3(CF2) n−1CH2OH n = 2, 3, 4, 5, 6) was measured as a function of pressure (0.1–70 MPa) and…”
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Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities by Black, Jana E, Silva, Gonçalo M. C, Klein, Christoph, Iacovella, Christopher R, Morgado, Pedro, Martins, Luís F. G, Filipe, Eduardo J. M, McCabe, Clare

“…A force field for perfluoropolyethers (PFPEs) based on the general optimized potentials for liquid simulations all-atom (OPLS-AA) force field has been derived…”
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Liquid Mixtures Involving Hydrogenated and Fluorinated Chains: (p, ρ, T, x) Surface of (Ethanol + 2,2,2-Trifluoroethanol), Experimental and Simulation by Duarte, Pedro, Silva, Marcelo, Rodrigues, Djêide, Morgado, Pedro, Martins, Luís F. G, Filipe, Eduardo J. M

“…The effect of mixing hydrogenated and fluorinated molecules that simultaneously interact through strong hydrogen bonding was investigated: (ethanol +…”
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Diffusion Coefficients of Fluorinated Surfactants in Water: Experimental Results and Prediction by Computer Simulation by Pereira, Luís A. M, Martins, Luís F. G, Ascenso, José R, Morgado, Pedro, Ramalho, João P. Prates, Filipe, Eduardo J. M

“…Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed field gradient (PFG)-NMR spin–echo technique as a function of…”
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Viscosity of Liquid Perfluoroalkanes and Perfluoroalkylalkane Surfactants by Morgado, Pedro, Laginhas, Carlos M. C, Lewis, J. Ben, McCabe, Clare, Martins, Luís F. G, Filipe, Eduardo J. M

“…As part of a systematic study of the thermophysical properties of two important classes of fluorinated organic compounds (perfluoroalkanes and…”
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