Machine learning models for the prediction of diffusivities in supercritical CO2 systems JPS Aniceto, B Zezere, CM Silva Journal of Molecular Liquids 326, 115281, 2021 | 23 | 2021 |
Predictive models for the binary diffusion coefficient at infinite dilution in polar and nonpolar fluids JPS Aniceto, B Zêzere, CM Silva Materials 14 (3), 542, 2021 | 16 | 2021 |
Diffusion coefficients of eucalyptol at infinite dilution in compressed liquid ethanol and in supercritical CO2/ethanol mixtures B Zezere, AL Magalhaes, I Portugal, CM Silva The Journal of Supercritical Fluids 133, 297-308, 2018 | 16 | 2018 |
Revisiting Tracer Liu-Silva-Macedo model for binary diffusion coefficient using the largest database of liquid and supercritical systems B Zêzere, I Portugal, JRB Gomes, CM Silva The Journal of Supercritical Fluids 168, 105073, 2021 | 10 | 2021 |
Measurement of astaxanthin and squalene diffusivities in compressed liquid ethyl acetate by Taylor-Aris dispersion method B Zezere, JM Silva, I Portugal, JRB Gomes, CM Silva Separation and Purification Technology 234, 116046, 2020 | 10 | 2020 |
Diffusion of quercetin in compressed liquid ethyl acetate and ethanol B Zêzere, J Iglesias, I Portugal, JRB Gomes, CM Silva Journal of Molecular Liquids 324, 114714, 2021 | 7 | 2021 |
Modeling tracer diffusion coefficients of any type of solutes in polar and non-polar dense solvents B Zêzere, I Portugal, JRB Gomes, CM Silva Materials 15 (18), 6416, 2022 | 6 | 2022 |
Diffusivities of metal acetylacetonates in liquid ethanol and comparison with the transport behavior in supercritical systems B Zêzere, J Cordeiro, J Leite, AL Magalhães, I Portugal, CM Silva The journal of supercritical fluids 143, 259-267, 2019 | 6 | 2019 |
Multiscale computational approaches toward the understanding of materials M Bordonhos, TLP Galvão, JRB Gomes, JD Gouveia, M Jorge, ... Advanced Theory and Simulations 6 (10), 2200628, 2023 | 5 | 2023 |
Diffusivities of ketones and aldehydes in liquid ethanol by molecular dynamics simulations B Zezere, I Portugal, CM Silva, JRB Gomes Journal of Molecular Liquids 371, 121068, 2023 | 4 | 2023 |
Diffusion coefficients of bioactive compounds in sub/supercritical CO2 and CO2/ethanol mixtures from molecular dynamics simulations B Zêzere, WQ Rios, I Portugal, CM Silva, JRB Gomes Journal of Molecular Liquids 384, 122096, 2023 | 2 | 2023 |
Diffusivities of linear unsaturated ketones and aldehydes in compressed liquid ethanol B Zezere, S Buchgeister, S Faria, I Portugal, JRB Gomes, CM Silva Journal of Molecular Liquids 367, 120480, 2022 | 2 | 2022 |
Prediction of diffusion coefficients in aqueous systems by machine learning models JPS Aniceto, B Zêzere, CM Silva Journal of Molecular Liquids 405, 125009, 2024 | 1 | 2024 |
Multicomponent diffusivities in supercritical and liquid ternary systems B Zêzere, I Portugal, JRB Gomes, CM Silva The Journal of Supercritical Fluids 196, 105881, 2023 | 1 | 2023 |
Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field B Zêzere, TVB Fonseca, I Portugal, MMQ Simões, CM Silva, JRB Gomes International Journal of Molecular Sciences 24 (8), 7316, 2023 | 1 | 2023 |