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I am currently a researcher of the Centro de Química Estrutural (IST) and Invited Assistant Professor of the Chemical Engineering Department, both at Instituto Superior Técnico (IST), Lisbon. My research can be broadly described as studying the thermophysical and structural behavior of complex fluids. I perform molecular simulations and calculations with molecular-based equations of state (various versions of SAFT), and combine these with rigorous experimental measurements of bulk, surface, and transport properties, spectroscopic measurements such as 129Xe and 1H NMR, to elucidate the behavior of the studied systems at the molecular level. With this hybrid strategy, I have focused mainly on highly fluorinated compounds and ionic liquids, substances which have in common the ability to display high levels of supramolecular organization in the liquid state. I have been able to elucidate how the simultaneous presence of mutually phobic hydrogenated and fluorinated alkyl chains, hydrophilic and hydrophobic segments, or polar and nonpolar moieties, imparts the possibility of various levels of segregation, from the phase separation at the macroscopic level, to the formation of supramolecular structures such as gels or liquid crystals, to subtle local segregation effects that heavily influence the bulk, surface and solvent properties of the systems even in the absence of phase separation. I have published 58 scientific articles in peer-reviewed journals, which gathered more than 1000 citations, achieving an H-Index of 21 (Bibliometric data from Web of Science). I am the first author of 21 of these papers, corresponding author of 2 and co-author of more than 50 communications presented at international scientific conferences. The orientation of undergraduate, Master and PhD. students is an important part of my research career, as substantiated in the supervision of 13 Master dissertations and in the current co-supervision of one PhD. student; many of these and other students are co-authors of my papers. Although my research activity is essentially focused on the realm of fundamental science, I have recently co-supervised two MSc. dissertations in collaboration with The Navigator Company (paper production company - market leader in Portugal), who applied the methodology of academic research to practical problems related to the surface treatment of paper. These works gave immediate contributions to the optimization of Navigator’s paper production process through the understanding of fundamental molecular interactions. I have an extensive teaching experience, both at the undergraduate and graduate levels, including the co-implementation of a new course on Molecular Simulation at IST, where I have assured theoretical, practical and tutorial classes, and also giving theoretical-practical and laboratory classes on several Thermodynamics mandatory courses.
Identification

Personal identification

Full name
Pedro Jorge Rodrigues Morgado

Citation names

  • Morgado, Pedro

Author identifiers

Ciência ID
CD13-7088-F1D3
ORCID iD
0000-0001-6190-9611
Google Scholar ID
pFAjyS8AAAAJ
Researcher Id
F-8308-2014
Scopus Author Id
8387322000

Knowledge fields

  • Engineering and Technology - Chemical Engineering - Chemical Engineering

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
French Intermediate (B1) Intermediate (B1) Beginner (A1) Intermediate (B1)
Spanish; Castilian Intermediate (B1) Intermediate (B1) Beginner (A1) Intermediate (B1)
Education
Degree Classification
2011
Concluded
Doutoramento em Engenharia Química (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Semifluorinated Alkanes - Structure-Properties Relations" (THESIS/DISSERTATION)
Pass with Distinction
2002
Concluded
Engenharia Química - Ramo de Química Aplicada (Licenciatura)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"n/a" (THESIS/DISSERTATION)
14 Valores
Affiliation

Science

Category
Host institution
Employer
2018/11/01 - 2024/10/31 Researcher (Research) Universidade de Lisboa Centro de Química Estrutural, Portugal
Universidade de Lisboa Centro de Química Estrutural, Portugal
2015/02/01 - 2018/10/31 Postdoc (Research) Universidade de Lisboa Centro de Química Estrutural, Portugal
2012/02/01 - 2015/01/31 Postdoc (Research) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2012/02/01 - 2015/01/31 Postdoc (Research) Universidade de Lisboa Centro de Química Estrutural, Portugal
Universidade de Lisboa Centro de Química Estrutural, Portugal

Teaching in Higher Education

Category
Host institution
Employer
2020/02/17 - 2024/10/31 Invited Assistant Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal
Universidade de Lisboa Instituto Superior Técnico, Portugal

Others

Category
Host institution
Employer
2008/02/06 - 2011/12/31 PhD. Student Universidade de Lisboa Centro de Química Estrutural, Portugal
2002/09/02 - 2008/02/01 Research grantee / Colaborator Universidade de Lisboa Centro de Química Estrutural, Portugal
2003/10/01 - 2004/03/31 Student Researcher Colorado School of Mines, United States
Projects

Contract

Designation Funders
2018/12/15 - 2022/12/14 Ionic liquids as additives of asphaltene dispersions
PTDC/EQU-EQU/29458/2017
Researcher
Universidade de Lisboa Centro de Química Estrutural, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2012/01/01 - 2016/12/31 From drug design to new materials: structural approach in emergent fields
RECI/QEQ-QIN/0189/2012
Researcher
Universidade de Lisboa Centro de Química Estrutural, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Journal article
  1. Rafaela N. Martins; Lucas G. Celia-Silva; João P. Prates Ramalho; Pedro Morgado; Eduardo J. M. Filipe; Luís F. G. Martins. "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". Energy & Fuels (2024): https://doi.org/10.1021/acs.energyfuels.3c04561.
    10.1021/acs.energyfuels.3c04561
  2. Silva, G.M.C.; Morgado, P.; Filipe, E.J.M.. "Towards compartmentalized micelles: Mixed perfluorinated and hydrogenated ionic surfactants in aqueous solution". Journal of Colloid and Interface Science 654 (2024): 906-914. http://www.scopus.com/inward/record.url?eid=2-s2.0-85174825847&partnerID=MN8TOARS.
    10.1016/j.jcis.2023.10.100
  3. Justino, J.; Teixeira, M.; Machacaz, D.; Morgado, P.; Vega, L.F.; Filipe, E.J.M.. "Unusual interfacial behaviour of mixtures of 2,2,2-Trifluoroethanol with hydrogenated alcohols". Journal of Molecular Liquids 393 (2024): http://www.scopus.com/inward/record.url?eid=2-s2.0-85178395140&partnerID=MN8TOARS.
    10.1016/j.molliq.2023.123684
  4. Silva, P.; Silva, G.M.C.; Morgado, P.; Fauré, M.-C.; Goldmann, M.; Filipe, E.J.M.. "Origin of the central pit in hemimicelles of semifluorinated alkanes: How molecular dipoles and substrate deformation can determine supra-molecular morphology". Journal of Colloid and Interface Science 655 (2024): 576-583. http://www.scopus.com/inward/record.url?eid=2-s2.0-85176506266&partnerID=MN8TOARS.
    10.1016/j.jcis.2023.11.007
  5. Taßler, S.; Bonatout, N.; Eusébio, T.M.; Valente, R.M.; Rego, T.; Ibrahim, H.; Morgado, P.; et al. "Surface behaviour of 1-alkyl-3-methylimidazolium ionic liquids at the air-water interface". Journal of Molecular Liquids 370 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85144319250&partnerID=MN8TOARS.
    10.1016/j.molliq.2022.121028
  6. Machacaz, D.; Eusébio, T.M.; Guarda, C.; Silva, G.M.C.; Morgado, P.; Martins, L.F.G.; Canongia Lopes, J.N.A.; Filipe, E.J.M.. "Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations". Journal of Chemical and Engineering Data 68 1 (2023): 14-24. http://www.scopus.com/inward/record.url?eid=2-s2.0-85144178762&partnerID=MN8TOARS.
    10.1021/acs.jced.2c00410
  7. Vaz, I.C.M.; Lobo Ferreira, A.I.M.C.; Silva, G.M.C.; Morgado, P.; Abranches, D.O.; Bastos, M.; Santos, L.M.N.B.F.; Filipe, E.J.M.; Coutinho, J.A.P.. "The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol + perfluoro tert-butanol". Physical Chemistry Chemical Physics 25 16 (2023): 11227-11236. http://www.scopus.com/inward/record.url?eid=2-s2.0-85152646545&partnerID=MN8TOARS.
    10.1039/d3cp00701d
  8. Damião, G.; Morgado, P.; Silva, P.; Martins, L.F.G.; McCabe, C.; Filipe, E.J.M.. "Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations". Fluid Phase Equilibria 575 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85168717824&partnerID=MN8TOARS.
    10.1016/j.fluid.2023.113928
  9. Cabaço, M. Isabel; Besnard, Marcel; Cruz, Carlos; Morgado, Pedro; Silva, Gonçalo M. C.; Filipe, Eduardo J. M.; Coutinho, João A. P.; Danten, Yann. "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". The Journal of Physical Chemistry B (2022): http://dx.doi.org/10.1021/acs.jpcb.1c10776.
    Published • 10.1021/acs.jpcb.1c10776
  10. Rego, T.; Silva, G.M.C.; Goldmann, M.; Filipe, E.J.M.; Morgado, P.. "Optimized all-atom force field for alkynes within the OPLS-AA framework". Fluid Phase Equilibria 554 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85119582389&partnerID=MN8TOARS.
    10.1016/j.fluid.2021.113314
  11. Celia-Silva, L.G.; Martins, R.N.; Carvalho, A.J.P.; Ramalho, J.P.P.; Morgado, P.; Filipe, E.J.M.; Martins, L.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". Energy and Fuels 36 16 (2022): 9048-9065. http://www.scopus.com/inward/record.url?eid=2-s2.0-85135981876&partnerID=MN8TOARS.
    10.1021/acs.energyfuels.2c01387
  12. Silva, G.M.C.; Beira, M.J.; Morgado, P.; Branco, L.C.; Sebastião, P.J.; Canongia Lopes, J.N.; Filipe, E.J.M.. "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". Journal of Molecular Liquids 367 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85139872224&partnerID=MN8TOARS.
    10.1016/j.molliq.2022.120506
  13. Martins, Luís F.G.; Palace Carvalho, Alfredo J.; Morgado, Pedro; Filipe, Eduardo J.M.. "Solubility of xenon in liquid n-alkanes and cycloalkanes by computer simulation. Towards the perfect anaesthetic". Journal of Molecular Liquids 340 (2021): 117272. http://dx.doi.org/10.1016/j.molliq.2021.117272.
    10.1016/j.molliq.2021.117272
  14. Isabel Cabaço, M.; Besnard, Marcel; Cruz, Carlos; Morgado, Pedro; Silva, Gonçalo M.C.; Filipe, Eduardo J.M.; Coutinho, João A.P.; Danten, Yann. "The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics". Chemical Physics Letters 779 (2021): 138844. http://dx.doi.org/10.1016/j.cplett.2021.138844.
    10.1016/j.cplett.2021.138844
  15. Isabel Cabaço, M.; Besnard, M.; Morgado, P.; Filipe, E.J.M.; Coutinho, J.A.P.; Danten, Y.. "Gaseous hetero dimers of perfluoro tert-butyl alcohol with hydrogenated alcohols by infrared spectroscopy and quantum DFT calculations". Chemical Physics 544 (2021): http://www.scopus.com/inward/record.url?eid=2-s2.0-85100986426&partnerID=MN8TOARS.
    10.1016/j.chemphys.2021.111110
  16. Morgado, P.; Barras, J.; Galindo, A.; Jackson, G.; Filipe, E.J.M.. "Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experiments and modelling with the SAFT-¿ Mie group-contribution approach". Molecular Physics (2021): http://www.scopus.com/inward/record.url?eid=2-s2.0-85105990584&partnerID=MN8TOARS.
    10.1080/00268976.2021.1910743
  17. Pedro Silva; Duarte Nova; Miguel Teixeira; Vitória Cardoso; Pedro Morgado; Bruno Nunes; Rogério Colaço; et al. "Langmuir Films of Perfluorinated Fatty Alcohols: Evidence of Spontaneous Formation of Solid Aggregates at Zero Surface Pressure and Very Low Surface Density". Nanomaterials (2020): https://doi.org/10.3390/nano10112257.
    10.3390/nano10112257
  18. Morgado, Pedro. "Modelling the thermodynamic properties and fluid-phase equilibria of n-perfluoroalkanes and their binary mixtures with the SAFT-¿ Mie group contribution equation of state". Molecular Physics (2020): http://dx.doi.org/10.1080/00268976.2020.1722270.
    10.1080/00268976.2020.1722270
  19. Tiago M. Eusébio; Ana Rita Martins; Gabriela Pon; Mónica Faria; Pedro Morgado; Moisés L. Pinto; Eduardo J. M. Filipe; Maria Norberta de Pinho. "Sorption/Diffusion Contributions to the Gas Permeation Properties of Bi-Soft Segment Polyurethane/Polycaprolactone Membranes for Membrane Blood Oxygenators". Membranes 10 1 (2020): 8-8. https://doi.org/10.3390/membranes10010008.
    10.3390/membranes10010008
  20. Celia-Silva, L.G.; Vilela, P.B.; Morgado, P.; Lucas, E.F.; Martins, L.F.G.; Filipe, E.J.M.. "Preaggregation of Asphaltenes in the Presence of Natural Polymers by Molecular Dynamics Simulation". Energy and Fuels 34 2 (2020): 1581-1591. http://www.scopus.com/inward/record.url?eid=2-s2.0-85080879974&partnerID=MN8TOARS.
    10.1021/acs.energyfuels.9b03703
  21. Silva, G.M.C.; Justino, J.; Morgado, P.; Teixeira, M.; Pereira, L.M.C.; Vega, L.F.; Filipe, E.J.M.. "Detailed surface characterization of highly fluorinated liquid alcohols: Experimental surface tensions, molecular simulations and soft-SAFT theory". Journal of Molecular Liquids 300 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85077471280&partnerID=MN8TOARS.
    10.1016/j.molliq.2019.112294
  22. Morgado, P.; Barras, J.; Duarte, P.; Filipe, E.J.M.. "Solubility of water in n-alkanes: New experimental measurements and molecular dynamics simulations". Fluid Phase Equilibria 503 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85072286551&partnerID=MN8TOARS.
    10.1016/j.fluid.2019.112322
  23. Morgado, P.; Barras, J.; Filipe, E.J.M.. "Solubility of water in perfluoroalkylalkanes surfactants: Evidence of specific interaction between water and the surfactant molecule". Fluid Phase Equilibria 522 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85088540846&partnerID=MN8TOARS.
    10.1016/j.fluid.2020.112754
  24. Silva, G.M.C.; Morgado, P.; Filipe, E.J.M.. "Towards Aqueous – Fluorous – Hydrogenous emulsions: Phase equilibria and liquid structure of (water + 1H,1H-Perfluorobutanol + 1-butanol) ternary mixture". Fluid Phase Equilibria 522 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85088527785&partnerID=MN8TOARS.
    10.1016/j.fluid.2020.112737
  25. Morgado, P.; Barras, J.; Filipe, E.J.M.. "From nano-seggregation to mesophases: Probing the liquid structure of perfluoroalkylalkanes with 129Xe NMR spectroscopy". Physical Chemistry Chemical Physics 22 26 (2020): 14736-14747. http://www.scopus.com/inward/record.url?eid=2-s2.0-85088210002&partnerID=MN8TOARS.
    10.1039/d0cp02123g
  26. Morgado, P.; Gaspar, J.; Filipe, E.J.M.. "Liquid-liquid interfaces: Water-perfluoroalkanes and water-perfluoroalkylalkanes, experimental interfacial tensions and molecular simulation". Journal of Molecular Liquids 312 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85085745590&partnerID=MN8TOARS.
    10.1016/j.molliq.2020.113385
  27. Morgado, P.; Barras, J.; Galindo, A.; Jackson, G.; Filipe, E.J.M.. "Modeling the Fluid-Phase Equilibria of Semifluorinated Alkanes and Mixtures of (n-Alkanes + n-Perfluoroalkanes) with the SAFT-¿Mie Group-Contribution Approach". Journal of Chemical and Engineering Data 65 12 (2020): 5909-5919. http://www.scopus.com/inward/record.url?eid=2-s2.0-85097840873&partnerID=MN8TOARS.
    10.1021/acs.jced.0c00785
  28. Philippe Fontaine; Eduardo J. M. Filipe; Marie-Claude Fauré; Tomas Rego; Stephanie Taßler; Ana Carolina Alves; Gonçalo M. C. Silva; Pedro Morgado; Michel Goldmann. "Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase". Molecules (2019): https://doi.org/10.3390/molecules24193590.
    10.3390/molecules24193590
  29. Morgado, P.; Martins, L.F.G.; Filipe, E.J.M.; Pedro Morgado; Luís F. G. Martins; Eduardo J. M. Filipe. "From nano-emulsions to phase separation: Evidence of nano-segregation in (alkane + perfluoroalkane) mixtures using 129 Xe NMR Spectroscopy". Physical Chemistry Chemical Physics 21 7 (2019): 3742-3751. http://www.scopus.com/inward/record.url?eid=2-s2.0-85061480887&partnerID=MN8TOARS.
    10.1039/c8cp06509h
  30. Silva, G.M.C.; Morgado, P.; Lourenço, P.; Goldmann, M.; Filipe, E.J.M.. "Spontaneous self-assembly and structure of perfluoroalkylalkane surfactant hemimicelles by molecular dynamics simulations". Proceedings of the National Academy of Sciences of the United States of America 116 30 (2019): 14868-14873. http://www.scopus.com/inward/record.url?eid=2-s2.0-85069648843&partnerID=MN8TOARS.
    10.1073/pnas.1906782116
  31. Martins, M.A.R.; Carvalho, P.J.; Alves, D.; Dariva, C.; Costa, M.C.; Ferreira, R.A.S.; André, P.S.; et al. "Surface crystallization of ionic liquid crystals". Physical Chemistry Chemical Physics 21 32 (2019): 17792-17800. http://www.scopus.com/inward/record.url?eid=2-s2.0-85071095806&partnerID=MN8TOARS.
    10.1039/c9cp03947c
  32. Mendonca, C.M.N.; Balogh, D.T.; Barbosa, S.C.; Sintra, T.E.; Ventura, S.P.M.; Martins, L.F.G.; Morgado, P.; et al. "Understanding the interactions of imidazolium-based ionic liquids with cell membrane models". Physical Chemistry Chemical Physics 20 47 (2018): 29764-29777. http://www.scopus.com/inward/record.url?eid=2-s2.0-85058147792&partnerID=MN8TOARS.
    10.1039/c8cp05035j
  33. Morgado, P.; Garcia, A.R.; Martins, L.F.G.; Ilharco, L.M.; Filipe, E.J.M.. "Alkane Coiling in Perfluoroalkane Solutions: A New Primitive Solvophobic Effect". Langmuir 33 42 (2017): 11429-11435. http://www.scopus.com/inward/record.url?eid=2-s2.0-85032000363&partnerID=MN8TOARS.
    10.1021/acs.langmuir.7b02516
  34. Black, J.E.; Silva, G.M.C.; Klein, C.; Iacovella, C.R.; Morgado, P.; Martins, L.F.G.; Filipe, E.J.M.; McCabe, C.. "Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities". Journal of Physical Chemistry B 121 27 (2017): 6588-6600. http://www.scopus.com/inward/record.url?eid=2-s2.0-85024860880&partnerID=MN8TOARS.
    10.1021/acs.jpcb.7b00891
  35. Pedro Morgado; Ana Rosa Garcia; Laura M. Ilharco; João Marcos; Martim Anastácio; Luís F. G. Martins; Eduardo J. M. Filipe. "Liquid Mixtures Involving Hydrogenated and Fluorinated Alcohols: Thermodynamics, Spectroscopy, and Simulation". The Journal of Physical Chemistry B 120 38 (2016): 10091-10105. https://doi.org/10.1021%2Facs.jpcb.6b04297.
    10.1021/acs.jpcb.6b04297
  36. Morgado, P.; Lobanova, O.; Müller, E.A.; Jackson, G.; Almeida, M.; Filipe, E.J.M.. "SAFT-¿ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data". Molecular Physics (2016): 1-18. http://www.scopus.com/inward/record.url?eid=2-s2.0-84984924374&partnerID=MN8TOARS.
    10.1080/00268976.2016.1218077
  37. Filipe, E.J.M.; Morgado, P.; Teixeira, M.; Shimizu, K.; Bonatout, N.; Goldmann, M.; Canongia Lopes, J.N.. "Crystalline-like structures and multilayering in Langmuir films of ionic liquids at the air-water interface". Chemical Communications 52 32 (2016): 5585-5588. http://www.scopus.com/inward/record.url?eid=2-s2.0-84964573790&partnerID=MN8TOARS.
    10.1039/c6cc01368f
  38. Silva, G.M.C.; Morgado, P.; Haley, J.D.; Montoya, V.M.T.; McCabe, C.; Martins, L.F.G.; Filipe, E.J.M.. "Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions". Fluid Phase Equilibria 425 (2016): 297-304. http://www.scopus.com/inward/record.url?eid=2-s2.0-84974627218&partnerID=MN8TOARS.
    10.1016/j.fluid.2016.06.011
  39. Cristino, A.F.; Morgado, P.; Galindo, A.; Filipe, E.J.M.; Palavra, A.M.F.; Nieto de Castro, C.A.. "High-temperature vapour-liquid equilibrium for ethanol-1-propanol mixtures and modeling with SAFT-VR". Fluid Phase Equilibria 398 (2015): 5-9. http://www.scopus.com/inward/record.url?eid=2-s2.0-84927739936&partnerID=MN8TOARS.
    10.1016/j.fluid.2015.04.009
  40. Martins, L.F.G.; Parreira, M.C.B.; Ramalho, J.P.P.; Morgado, P.; Filipe, E.J.M.. "Prediction of diffusion coefficients of chlorophenols in water by computer simulation". Fluid Phase Equilibria 396 (2015): 9-19. http://www.scopus.com/inward/record.url?eid=2-s2.0-84925600302&partnerID=MN8TOARS.
    10.1016/j.fluid.2015.03.026
  41. Morgado, P.; Das, G.; McCabe, C.; Filipe, E.J.M.. "Vapor pressure of perfluoroalkylalkanes: The role of the dipole". Journal of Physical Chemistry B 119 4 (2015): 1623-1632. http://www.scopus.com/inward/record.url?eid=2-s2.0-84921942985&partnerID=MN8TOARS.
    10.1021/jp5109448
  42. Martins, L.F.G.; Pereira, L.A.M.; Silva, G.M.C.; Ascenso, J.R.; Morgado, P.; Ramalho, J.P.P.; Filipe, E.J.M.. "Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water". Fluid Phase Equilibria 407 (2015): 322-333. http://www.scopus.com/inward/record.url?eid=2-s2.0-84945437842&partnerID=MN8TOARS.
    10.1016/j.fluid.2015.06.006
  43. Almeida, H.F.D.; Freire, M.G.; Fernandes, A.M.; Lopes-Da-Silva, J.A.; Morgado, P.; Shimizu, K.; Filipe, E.J.M.; et al. "Cation alkyl side chain length and symmetry effects on the surface tension of ionic liquids". Langmuir 30 22 (2014): 6408-6418. http://www.scopus.com/inward/record.url?eid=2-s2.0-84902148809&partnerID=MN8TOARS.
    10.1021/la501308q
  44. Dias, N.; Shimizu, K.; Morgado, P.; Filipe, E.J.M.; Canongia Lopes, J.N.; Vaca Chávez, F.. "Charge templates in aromatic plus ionic liquid systems revisited: NMR experiments and molecular dynamics simulations". Journal of Physical Chemistry B 118 21 (2014): 5772-5780. http://www.scopus.com/inward/record.url?eid=2-s2.0-84901676055&partnerID=MN8TOARS.
    10.1021/jp503130y
  45. Pereira, L.A.M.; Martins, L.F.G.; Ascenso, J.R.; Morgado, P.; Ramalho, J.P.P.; Filipe, E.J.M.. "Diffusion coefficients of fluorinated surfactants in water: Experimental results and prediction by computer simulation". Journal of Chemical and Engineering Data 59 10 (2014): 3151-3159. http://www.scopus.com/inward/record.url?eid=2-s2.0-84907886215&partnerID=MN8TOARS.
    10.1021/je500211w
  46. Morgado, P.; Black, J.; Lewis, J.B.; Iacovella, C.R.; McCabe, C.; Martins, L.F.G.; Filipe, E.J.M.. "Viscosity of liquid systems involving hydrogenated and fluorinated substances: Liquid mixtures of (hexane+perfluorohexane)". Fluid Phase Equilibria 358 (2013): 161-165. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883718177&partnerID=MN8TOARS.
    10.1016/j.fluid.2013.07.060
  47. Duarte, P.; Silva, M.; Rodrigues, D.; Morgado, P.; Martins, L.F.G.; Filipe, E.J.M.. "Liquid mixtures involving hydrogenated and fluorinated chains: (p, ¿, T, x) surface of (ethanol + 2,2,2-trifluoroethanol), experimental and simulation". Journal of Physical Chemistry B 117 33 (2013): 9709-9717. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883140873&partnerID=MN8TOARS.
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  48. Morgado, P.; Shimizu, K.; Esperança, J.M.S.S.; Reis, P.M.; Rebelo, L.P.N.; Canongia Lopes, J.N.; Filipe, E.J.M.. "Using 129 Xe NMR to probe the structure of ionic liquids". Journal of Physical Chemistry Letters 4 16 (2013): 2758-2762. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882402200&partnerID=MN8TOARS.
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Activities

Supervision

Thesis Title
Role
Degree Subject (Type)
Institution / Organization
2020 - Current Engineering fluorinated nanoparticles for medical applications: towards structure-properties relationships
Co-supervisor of Pedro Manuel Ribeiro Silva
Química (PhD)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2023/02/01 - 2023/11/29 Properties of Perfluorinated Compounds in Water - Interfacial Properties and Diffusion Coefficients by Molecular Dynamics Simulations
Supervisor
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2022/02/01 - 2022/12/13 Perfluorinated (PFAS) Pollutants in Water - Interfacial Properties and Diffusion Coefficients by Molecular Dynamics Simulations
Supervisor
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2022/02/01 - 2022/12/02 Fluid and interfacial properties of amines by Molecular Dynamics simulations
Supervisor of Rui Miguel Pinto Almeida
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2020/02/01 - 2021/01/14 Nanostructured Films of Fluorinated Surfactants
Supervisor of Duarte C. A. Vila Nova
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2019 - 2019 SAFT-gamma Mie thermodynamics for electrolytes - Modelling and evaluation
Co-supervisor of Gonçalo F. C. Pereira
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2019 - 2019 Interações de Superfície em Soluções de Surface Sizing do Papel
Supervisor of Filipe S. Almeida
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2019 - 2019 Characterization and Gas Permeation Properties of Blood Compatible Membranes for Blood Oxygenators
Supervisor of Ana Rita G. V. Martins
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 - 2019 Interaction Between Additives in Paper Coating Formulations
Supervisor of Manuel B. I. C. S. Pereira
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018/02/01 - 2018/12/30 Nanostructured Films of Fluorinated Surfactants
Supervisor of Pedro A. C. Lourenço
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 - 2018 SAFT-based Thermodynamics for Inorganic Systems
Co-supervisor of Ana Patrícia C. Cotrim
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 - 2018 Hemocompatible Membranes for Blood Oxygenators
Supervisor of Gabriela Pon
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2016 - 2016 Study of Asphaltene Nanoaggregation and the Effect of Additives by Molecular Dynamics
Co-supervisor of Patrícia B. Vilela
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2015 - 2015 Water + hydrocarbons mixtures and the oil extraction industry. A computer simulation study
Co-supervisor of Pedro José do Vale Duarte
Engenharia Química (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal

Event organisation

Event name
Type of event (Role)
Institution / Organization
2014 - 2014 Conference “SAFT Meeting 2014 – From SAFT to Experiment and Back”, April 22-24, 2014, Tróia, Portugal. Co-organized with Prof. Eduardo J. M. Filipe (IST) and Prof. Luís F. G. Martins (Universidade de Évora). (2014/04/22 - 2014/04/24)
Conference (Member of the Organising Committee)
Universidade de Lisboa Centro de Química Estrutural, Portugal

Jury of academic degree

Topic
Role
Candidate name (Type of degree)
Institution / Organization
2021/11/29 Estudo de revestimentos aquosos para impermeabilização e proteção de coberturas utilizados na construção civil
(Thesis) Main arguer
Catarina Alexandra Santos Vieira (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2021/04/30 Thermodynamical and structural properties of alcohol diacetylenes Langmuir films
(Thesis) Arguer
Tomás Rego (PhD)
Institut des NanoSciences de Paris, France

Sorbonne Université Campus Pierre et Marie Curie, France
2021/01/21 Fluorocarbon gas permeability through ionic liquid supported membranes
(Thesis) Main arguer
Francisco Manuel da Silva e Cunha (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 Molecular Films of Hydrogenated and Fluorinated Surfactants
(Thesis) Main arguer
José Paulo Rosa Justino (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 Avaliação da eficiência de separação de CO2 através de membranas de Polímeros de Líquidos Iónicos
(Thesis) Main arguer
Ana Cláudia Pereira Correia (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2017 Property Data and Phase Equilibria for the Design of Chemical Processes involving Carbon Dioxide
(Thesis) Main arguer
Miguel Alexandre Pereira Costa (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2017 Langmuir Films of Ionic Liquids
(Thesis) Main arguer
Tomás da Costa Mira de Mello do Rego (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2016 Modelling the phase behaviour of polymer-solvent mixtures and surfactant systems with the SAFT-gamma Mie EoS
(Thesis) Main arguer
Mariana Leitão da Silva Santos (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2016 Nanostructured Fluorinated Langmuir Films
(Thesis) Main arguer
Vitória Alexandra Cardoso (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2016 SAFT Modelling of Fluorinated Substances and their Mixtures using SAFT-gamma Mie EoS Approach
(Thesis) Main arguer
Vera Alexandra Fernandes dos Santos (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2015 Nanostructured Molecular Films Involving Perfluorinated Compounds
(Thesis) Main arguer
Carmen Pinto Pérez (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2014 Modeling of Water/n-Alkane Mixtures with SAFT-VR-SW and SAFT-gamma-Mie GC approach EoS
(Thesis) Main arguer
Rita Patrício Gomes (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2017 - Current Simulação Molecular Engenharia Química (Mestrado integrado) Universidade de Lisboa Instituto Superior Técnico, Portugal
2021 - 2023 Termodinâmica de Engenharia Química Engenharia Química (Licenciatura) Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 - 2019 Fenómenos de Transferência II Engenharia Química (Mestrado integrado) Universidade de Lisboa Instituto Superior Técnico, Portugal
2018 - 2019 Fenómenos de Transferência II Engenharia Biológica (Mestrado integrado) Universidade de Lisboa Instituto Superior Técnico, Portugal

Journal scientific committee

Journal title (ISSN) Publisher
2022/12/20 - Current Journal of Chemical & Engineering Data (0021-9568) ACS
2021 - Current The Journal of Physical Chemistry B American Chemical Society
2021 - Current The European Physical Journal Springer
2015 - Current RSC Advances (2046-2069) The Royal Society of Chemistry
2013 - Current Fluid Phase Equilibria (0378-3812) Elsevier