Extending an equation of state to confined fluids with basis on molecular simulations GD Barbosa, L Travalloni, M Castier, FW Tavares Chemical Engineering Science 153, 212-220, 2016 | 29 | 2016 |
Cubic equations of state extended to confined fluids: New mixing rules and extension to spherical pores GD Barbosa, ML D'Lima, SMH Daghash, M Castier, FW Tavares, ... Chemical Engineering Science 184, 52-61, 2018 | 23 | 2018 |
Computational and experimental study of different brines in temperature swing solvent extraction desalination with amine solvents GD Barbosa, E Dach, X Liu, NY Yip, CH Turner Desalination 537, 115863, 2022 | 17 | 2022 |
High-salinity brine desalination with amine-based temperature swing solvent extraction: A molecular dynamics study GD Barbosa, X Liu, JE Bara, ST Weinman, CH Turner Journal of Molecular Liquids 341, 117359, 2021 | 17 | 2021 |
Molecular aspects of temperature swing solvent extraction for brine desalination using imidazole-based solvents GD Barbosa, JE Bara, ST Weinman, CH Turner Chemical Engineering Science 247, 116866, 2022 | 15 | 2022 |
Charge scaling parameter evaluation for multivalent ionic liquids with fixed point charge force fields GD Barbosa, X Liu, KE O'Harra, JE Bara, CH Turner Journal of Ionic Liquids 2 (1), 100020, 2022 | 14 | 2022 |
Molecular simulation of high-salinity brines in contact with diisopropylamine and tripropylamine solvents P Sappidi, G Barbosa, BD Rabideau, ST Weinman, CH Turner Industrial & Engineering Chemistry Research 60 (21), 7917-7925, 2021 | 12 | 2021 |
The impact of the adsorbent energy heterogeneities by multidimensional-multicomponent PC-SAFT-DFT VM Sermoud, GD Barbosa, NS Vernin, AG Barreto Jr, FW Tavares Fluid Phase Equilibria 562, 113546, 2022 | 10 | 2022 |
Quenched solid density functional theory coupled with PC-SAFT for the adsorption modeling on nanopores VM Sermoud, GD Barbosa, AG Barreto Jr, FW Tavares Fluid Phase Equilibria 521, 112700, 2020 | 10 | 2020 |
PCP-SAFT Density Functional Theory as a much-improved approach to obtain confined fluid isotherm data applied to sub and supercritical conditions VM Sermoud, GD Barbosa, EA Soares, LH de Oliveira, MV Pereira, ... Chemical Engineering Science 247, 116905, 2022 | 9 | 2022 |
Pore size distributions from extended Peng-Robinson equations of state for fluids confined in cylindrical and slit pores GD Barbosa, L Travalloni, M Castier, FW Tavares Fluid Phase Equilibria 493, 67-77, 2019 | 9 | 2019 |
Exploring the multiple solutions of the classical density functional theory using metadynamics based method VM Sermoud, GD Barbosa, EA Soares, AG Barreto, FW Tavares Adsorption 27, 1023-1034, 2021 | 7 | 2021 |
Tween-80 on water/oil interface: structure and interfacial tension by molecular dynamics simulations AM Luz, G Barbosa, C Manske, FW Tavares Langmuir 39 (9), 3255-3265, 2023 | 6 | 2023 |
A molecular study on the behavior of polyethoxylated alkyl ethers surfactants in a water/n-alkane interface AM Luz, TJP Dos Santos, GD Barbosa, CLM Camargo, FW Tavares Colloids and Surfaces A: Physicochemical and Engineering Aspects 651, 129627, 2022 | 6 | 2022 |
Adsorption of gases on zeolitic imidazolate frameworks: Modeling with equations of state for confined fluids and pore size distribution estimation GD Barbosa, L Travalloni, FW Tavares, M Castier Industrial & Engineering Chemistry Research 58 (42), 19702-19708, 2019 | 6 | 2019 |
Molecular simulation of glycerol-derived triether podands for lithium ion solvation GD Barbosa, JE Bara, CH Turner Physical Chemistry Chemical Physics 24 (16), 9459-9466, 2022 | 5 | 2022 |
Reconstruction of the pore size distribution of porous materials: The influence of uncertainties in the gaseous adsorption experimental data VM Sermoud, GD Barbosa, AG Barreto Jr, FW Tavares Fluid Phase Equilibria 494, 93-102, 2019 | 5 | 2019 |
A Gauge Invariant Description for the General Conic Constrained Particle from the FJBW Iteration Algorithm GD Barbosa, R Thibes Brazilian Journal of Physics 48, 380-389, 2018 | 5 | 2018 |
Water adsorption on planar interfaces: Classical density functional study AL Kolesnikov, YA Budkov, GD Barbosa, J Möllmer, FW Tavares Fluid Phase Equilibria 564, 113567, 2023 | 4 | 2023 |
Martini coarse-grained model for poly (alkylimidazolium) Ionenes and applications in aromatic compound extraction GD Barbosa, CH Turner Macromolecules 55 (1), 26-34, 2021 | 4 | 2021 |