Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions
Silva, Gonçalo M.C., Morgado, Pedro, Haley, Jessica D., Montoya, Víctor Manuel Trejos, McCabe, Clare, Martins, Luís F.G., Filipe, Eduardo J.M.
Published in Fluid phase equilibria (15.10.2016)
Published in Fluid phase equilibria (15.10.2016)
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Journal Article
Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
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.
Published in Fluid phase equilibria (01.01.2016)
Published in Fluid phase equilibria (01.01.2016)
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Journal Article
Spontaneous self-assembly and structure of perfluoroalkylalkane surfactant hemimicelles by molecular dynamics simulations
Silva, Gonçalo M. C., Morgado, Pedro, Lourenço, Pedro, Goldmann, Michel, Filipe, Eduardo J. M.
Published in Proceedings of the National Academy of Sciences - PNAS (23.07.2019)
Published in Proceedings of the National Academy of Sciences - PNAS (23.07.2019)
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Journal Article
The Challenges of Using COSMO-RS To Describe Polymer Solution Behavior
Silva, Gonçalo M. C., Pantano, Diego A., Loehlé, Sophie, Coutinho, João A. P.
Published in Industrial & engineering chemistry research (06.12.2023)
Published in Industrial & engineering chemistry research (06.12.2023)
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Journal Article
Origin of the central pit in hemimicelles of semifluorinated alkanes: How molecular dipoles and substrate deformation can determine supra-molecular morphology
Silva, Pedro, Silva, Gonçalo M.C., Morgado, Pedro, Fauré, Marie-Claude, Goldmann, Michel, Filipe, Eduardo J.M.
Published in Journal of colloid and interface science (01.02.2024)
Published in Journal of colloid and interface science (01.02.2024)
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Journal Article
Coarse-grain molecular dynamics simulation framework to unravel the interactions of surfactants on silica surfaces for oil recovery
Pérez-Sánchez, Germán, Costa, Filipa M., Silva, Gonçalo M.C., Piñeiro, Manuel M., Coutinho, João A.P.
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.08.2023)
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.08.2023)
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Journal Article
Optimized all-atom force field for alkynes within the OPLS-AA framework
Rego, Tomás, Silva, Gonçalo M.C., Goldmann, Michel, Filipe, Eduardo J.M., Morgado, Pedro
Published in Fluid phase equilibria (01.03.2022)
Published in Fluid phase equilibria (01.03.2022)
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Journal Article
Using the SAFT-γ-Mie to Generate Coarse-Grained Force Fields Useable in Molecular Dynamics Simulations: Describing the Micellar Phases of Polyalkylglycols in Aqueous Solutions
Silva, Gonçalo M. C., Pérez-Sanchéz, Germán, Pantano, Diego A., Loehlé, Sophie, Coutinho, João A. P.
Published in Industrial & engineering chemistry research (05.04.2023)
Published in Industrial & engineering chemistry research (05.04.2023)
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Journal Article
The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics
Isabel Cabaço, M., Besnard, Marcel, Cruz, Carlos, Morgado, Pedro, Silva, Gonçalo M.C., Filipe, Eduardo J.M., Coutinho, João A.P., Danten, Yann
Published in Chemical physics letters (16.09.2021)
Published in Chemical physics letters (16.09.2021)
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Journal Article
Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity
Silva, Gonçalo M.C., Beira, Maria J., Morgado, Pedro, Branco, Luís C., Sebastião, Pedro J., Canongia Lopes, José N., Filipe, Eduardo J.M.
Published in Journal of molecular liquids (01.12.2022)
Published in Journal of molecular liquids (01.12.2022)
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Journal Article
Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X‑ray Scattering) Analyzed by DFT and Molecular Dynamics Calculations
Cabaço, M. Isabel, Besnard, Marcel, Cruz, Carlos, Morgado, Pedro, Silva, Gonçalo M. C., Filipe, Eduardo J. M., Coutinho, João A. P., Danten, Yann
Published in The journal of physical chemistry. B (10.03.2022)
Published in The journal of physical chemistry. B (10.03.2022)
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Journal Article
The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert -butanol + perfluoro tert -butanol
Vaz, Inês C M, Lobo Ferreira, Ana I M C, Silva, Gonçalo M C, Morgado, Pedro, Abranches, Dinis O, Bastos, Margarida, Santos, Luís M N B F, Filipe, Eduardo J M, Coutinho, João A P
Published in Physical chemistry chemical physics : PCCP (26.04.2023)
Published in Physical chemistry chemical physics : PCCP (26.04.2023)
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Journal Article
Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations
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.
Published in Journal of chemical and engineering data (12.01.2023)
Published in Journal of chemical and engineering data (12.01.2023)
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Journal Article
Detailed surface characterization of highly fluorinated liquid alcohols: Experimental surface tensions, molecular simulations and soft-SAFT theory
Silva, Gonçalo M.C., Justino, José, Morgado, Pedro, Teixeira, Miguel, Pereira, Luís M.C., Vega, Lourdes F., Filipe, Eduardo J.M.
Published in Journal of molecular liquids (15.02.2020)
Published in Journal of molecular liquids (15.02.2020)
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Journal Article
Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities
Black, Jana E, Silva, Gonçalo M. C, Klein, Christoph, Iacovella, Christopher R, Morgado, Pedro, Martins, Luís F. G, Filipe, Eduardo J. M, McCabe, Clare
Published in The journal of physical chemistry. B (13.07.2017)
Published in The journal of physical chemistry. B (13.07.2017)
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Journal Article
Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase
Fontaine, Philippe, Filipe, Eduardo J M, Fauré, Marie-Claude, Rego, Tomas, Taßler, Stephanie, Alves, Ana Carolina, Silva, Gonçalo M C, Morgado, Pedro, Goldmann, Michel
Published in Molecules (Basel, Switzerland) (05.10.2019)
Published in Molecules (Basel, Switzerland) (05.10.2019)
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