Bio

Bruno Zêzere holds a M.Sc. in Chemical Engineering from the University of Aveiro (2017). He was awarded a PhD grant from the Fundação para a Ciência e a Tecnologia in 2018. Currently, under supervision of Prof. Carlos Silva and Dr. José R. B. Gomes at the Department of Chemistry and CICECO, University of Aveiro, he is pursuing his PhD focusing on the combination of experimental chromatographic techniques, phenomenological modelling and classical molecular dynamics computer simulations to determine the diffusivities of bioactive compounds in supercritical fluids and liquids.

Articles

B. Zêzere, W.Q. Rios, I. Portugal, C.M. Silva, J.R.B. Gomes. Diffusion coefficients of bioactive compounds in sub/supercritical CO2 and CO2/ethanol mixtures from molecular dynamics simulations, Journal of Molecular Liquids 384 (2023) 122096.

B. Zêzere, I. Portugal, C.M Silva, J.R.B. Gomes. Diffusivities of ketones and aldehydes in liquid ethanol by molecular dynamics simulations, Journal of Molecular Liquids 371 (2023) 121068.

B. Zêzere, T.V.B. Fonseca, I. Portugal, M.M.Q. Simões, C.M. Silva, J.R.B. Gomes. Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field, International Journal of Molecular Sciences 24 (2023) 7316.

B. Zêzere, I. Portugal, J.R.B. Gomes, C.M. Silva. Multicomponent diffusivities in supercritical and liquid ternary systems, The Journal of Supercritical Fluids 196 (2023) 105881.

B. Zêzere, S. Buchgeister, S. Faria, I. Portugal, J.R.B. Gomes, C.M. Silva. Diffusivities of linear unsaturated ketones and aldehydes in compressed liquid ethanol, Journal of Molecular Liquids 367 (2022) 120480.

B. Zêzere, I. Portugal, J.R.B. Gomes, C.M. Silva. Modeling tracer diffusion coefficients of any type of solutes in polar and non-polar dense solvents, Materials 15 (2022) 6416.

M. Bordonhos, T.L.P. Galvão, J.R.B. Gomes, J.D. Gouveia, M. Jorge, M. Lourenço, J.M. Pereira, G. Pérez-Sánchez, M.L. Pinto, C.M. Silva, J. Tedim, B. Zêzere. Multiscale computational approaches towards the understanding of materials, Advanced Theory and Simulations (2022) 2200628.

B. Zêzere, J. Iglésias, I. Portugal, J.R.B. Gomes, C.M. Silva. Diffusion of quercetin in compressed liquid ethyl acetate and ethanol, Journal of Molecular Liquids (2021) 114714.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Machine learning models for the prediction of diffusivities in supercritical CO2 systems, Journal of Molecular Liquids 326 (2021) 115281.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids, Materials 14 (2021) 542.

B. Zêzere, I. Portugal, J.R.B. Gomes, C.M. Silva. Revisiting Tracer Liu-Silva-Macedo model for binary diffusion coefficient using the largest database of liquid and supercritical systems, Journal of Supercritical Fluids 168 (2021) 105073.

B. Zêzere, J.M. Silva, I. Portugal, J.R.B. Gomes, C.M. Silva. Measurement of astaxanthin and squalene diffusivities in compressed liquid ethyl acetate by Taylor-Aris dispersion method, Separation and Purification Technology 234 (2020) 116046.

B. Zêzere, J. Cordeiro, J. Leite, A.L. Magalhães, I. Portugal, C.M. Silva. Diffusivities of metal acetylacetonates in liquid ethanol and comparison with the transport behavior in supercritical systems, Journal of Supercritical Fluids 143 (2019) 259-267.

B. Zêzere, A.L. Magalhães, I. Portugal, C.M. Silva. Diffusion coefficients of eucalyptol at infinite dilution in compressed liquid ethanol and in supercritical CO2/ethanol mixtures, Journal of Supercritical Fluids 133 (2018) 297-308.

Posters

B. Zêzere, I. Portugal, J.R.B. Gomes, C.M Silva. Chromatographic measurement of aldehydes and ketones diffusivities in compressed liquid ethanol, 12º Encontro Nacional de Cromatografia, Aveiro, 6 - 8 December, 2022.

B. Zêzere, T.V.B. Fonseca, I. Portugal, J.R.B. Gomes, C.M. Silva. Models for tracer diffusivities in liquid and supercritical ternary systems, 2nd Iberian Meeting on Supercritical Fluids (EIFS2022), Coimbra, Portugal, February 28th - March 2nd, 2022.

B. Zêzere, I. Portugal, J.R.B. Gomes, C.M. Silva. Estimation and correlation of multicomponent diffusivities in supercritical mixtures by the Multi Liu–Silva–Macedo model, EMSF2021, Bordeaux, France, May 3-6, 2021.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Prediction of diffusivities in supercritical carbon dioxide using machine learning models, EMSF2021, Bordeaux, France, May 3-6, 2021.

B. Zêzere, J. Iglésias, I. Portugal, J.R.B. Gomes, C.M. Silva. Estimation of multicomponent diffusivities in supercritical and liquid mixtures, EIFS2020, Santiago de Compostela, , 2020.

C.M. Silva, B. Zêzere, J.R.B. Gomes, I. Portugal. Experimental measurements of diffusion coefficients in compressed liquids and supercritical fluids, EIFS2020, Santiago de Compostela, Spain, , 2020.

J. Iglésias, B. Zêzere, I. Portugal, J.R.B. Gomes, C. M. Silva. Molecular dynamics simulation of diffusion coefficients in supercritical carbon dioxide, EIFS2020, Santiago de Compostela, Spain, , 2020.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Prediction of diffusivities in supercritical carbon dioxide using machine learning models, EIFS2020, Santiago de Compostela, Spain, , 2020.

B. Zêzere, A. L. Magalhães, I. Portugal, C.M. Silva. Diffusion coefficients of metal acetylacetonates in liquid ethanol and supercritical CO2, 6th Portuguese Young Chemists Meeting, Setúbal, 15 – 18 May, 2018.

B. Zêzere, I. Portugal, C.M. Silva. Experimental and modeled diffusivities of metal acetylacetonates in liquid ethanol and comparative insights with their diffusivity in supercritical CO2, ChemPor 2018, Aveiro, 7 – 4 October, 2018.

J.M. Silva, B. Zêzere, I. Portugal, C.M. Silva. Measurement of diffusion coefficients of lycopene and astaxanthin in compressed liquids, ChemPor 2018, Aveiro, 12 – 4 October, 2018.

B. Zêzere, I. Portugal, C.M. Silva. New extension of the Liu-Silva-Macedo model to multicomponent Lennard-Jones intradiffusivities, ChemPor 2018, Aveiro, 6 – 4 October, 2018.

B. Zêzere, I.S. Azenha, A.L. Magalhães, A. Mendes, C.M. Silva. Chromatographic measurement of eucalyptol diffusivities in compressed fluids, 10º Encontro Nacional de Cromatografia, Bragança, 4-6 December, 2017.

Presentations

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Machine Learning models for the prediction of diffusion coefficients in SC-CO2, 19th European Meeting on Supercritical Fluids, Budapest, Hungary, 21-24 May, 2023.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Prediction of diffusion coefficients in supercritical carbon dioxide using machine learning models, Research Summit 2023, Aveiro, 12th - 14th July, 2023.

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Machine learning models for the prediction of diffusivities in supercritical CO2 systems, 2nd Iberian Meeting on Supercritical Fluids (EIFS2022), Coimbra, Portugal, February 28th - March 2nd, 2022.

B. Zêzere, I. Portugal, C.M. Silva, J.R.B. Gomes. Molecular dynamics and phenomelogical modeling of experimental diffusivities in supercritical mixtures, 13th International Symposium on Supercritical Fluids (ISSF 2022), Montreal, Canada, 15th - 18th May, 2022.

Thesis

Bruno Zêzere. Measurement and computer simulation of diffusivities in supercritical fluids and liquids, PhD Thesis, Coordinator(s): Prof. Carlos Manuel Silva (EgiChem, CICECO, University of Aveiro) and Doctor J.R.B. Gomes (CICECO, University of Aveiro), University of Aveiro, 2023.

Bruno Zêzere. Diffusivities of bioactive compounds in supercritical mixtures and expanded solvents, MSc Thesis, Coordinator(s): Carlos Manuel Silva, University of Aveiro, 2017.