All Stories

  1. Machine learning as a microscope: Uncovering structure - Property relationships in polymeric membranes for CO2 separation

    Article • Journal of Membrane Science, May 2026, Elsevier

    Dr Elena Tocci

  2. Multiscale simulation of amino-functionalized UiO-66/PDMS mixed matrix membranes: Unraveling structure-transport relationships for CO2-Selective artificial lung membranes

    Article • Journal of Membrane Science, April 2026, Elsevier

    Dr Elena Tocci

  3. Membrane-enhanced lithium fluoride crystallization: A sustainable pathway for resource recovery from concentrated waste solutions

    Article • Chemical Engineering Science, January 2026, Elsevier

    Dr Elena Tocci

  4. From chain length to ion diffusion: Molecular insights into phosphonium-based polymerized ionic liquid membranes for energy applications

    Article • Desalination, January 2026, Elsevier

    Dr Elena Tocci

  5. Review of Hollow Fiber Membranes for Gas Separation: Exploring Fundamentals and Recent Advancements

    Article • Membranes, August 2025, MDPI AG

    Dr Elena Tocci

  6. Short-Term Morphological Response of Polypropylene Membranes to Hypersaline Lithium Fluoride Solutions: A Multiscale Modeling Approach

    Article • International Journal of Molecular Sciences, July 2025, MDPI AG

    Dr Elena Tocci

  7. Enhancement in Lithium Recovery from Spent Lithium Batteries by Nanofiltration Membranes

    Article • Environments, June 2025, MDPI AG

    Dr Elena Tocci

  8. Unveiling the role of polypropylene interactions with lithium fluoride solutions: Insights into crystallization dynamics and membrane behaviour

    Article • Journal of Membrane Science, April 2025, Elsevier

    Dr Elena Tocci

  9. Unravelling the origin of enhanced CO2 selectivity in amine-PIM-1 during mixed gas permeation

    Article • Journal of Materials Chemistry A, January 2025, Royal Society of Chemistry

    Dr Elena Tocci

  10. Nitrogen Enriched Tröger’s Base Polymers of Intrinsic Microporosity for Heterogeneous Catalysis

    Article • ACS Applied Polymer Materials, December 2024, American Chemical Society (ACS)

    Dr Elena Tocci

  11. Perfluorinated Nanoporous Metal–Organic Framework-Based Mixed-Matrix Membranes for CO2 Capture

    Article • ACS Applied Nano Materials, October 2024, American Chemical Society (ACS)

    Dr Elena Tocci

  12. Enhancement in Heat Transfer Performance of Water Vapor Condensation on Graphene-Coated Copper Surfaces: A Molecular Dynamics Study

    Article • Nanomaterials, July 2024, MDPI AG

    Dr Elena Tocci

  13. Solvent-Assisted Graphene Exfoliation from Graphite Using Umbrella Sampling Simulations

    Article • Langmuir, December 2023, American Chemical Society (ACS)

    Dr Elena Tocci

  14. Graphene coating reduces the heat transfer performance of water vapor condensation on copper surfaces: A molecular simulation study

    Article • Alexandria Engineering Journal, November 2023, Elsevier

    Dr Elena Tocci

  15. Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl

    Article • Membranes, August 2023, MDPI AG

    Dr Elena Tocci

  16. Impact of membrane engineering on the process engineering progresses: Towards a sustainable development

    Article • Chemical Engineering and Processing - Process Intensification, July 2023, Elsevier

    Dr Elena Tocci

  17. Foreword

    Article • Separation Science and Technology, March 2023, Taylor & Francis

    Dr Elena Tocci

  18. Membrane formation by thermally induced phase separation: Materials, involved parameters, modeling, current efforts and future directions

    Article • Journal of Membrane Science, March 2023, Elsevier

    Dr Elena Tocci

  19. Strategies to stabilize silver salt in composite Pebax2533©/Ag(NH3)2OH and Pebax©2533 [Ag(15-crown-5-ether)] membranes for enhanced ethylene/ethane separation

    Article • Separation Science and Technology, October 2022, Taylor & Francis

    Dr Elena Tocci

  20. Thin Film Composite Membranes Based on the Polymer of Intrinsic Microporosity PIM-EA(Me2)-TB Blended with Matrimid®5218

    Article • Membranes, September 2022, MDPI AG

    Dr Elena Tocci

  21. Tröger’s Base Network Polymers of Intrinsic Microporosity (TB-PIMs) with Tunable Pore Size for Heterogeneous Catalysis

    Article • Journal of the American Chemical Society, August 2022, American Chemical Society (ACS)

    Dr Elena Tocci

  22. An environmental-friendly electrostatically driven method for preparing graphene oxide composite membranes with amazing stability in aqueous solutions

    Article • Journal of Membrane Science, August 2022, Elsevier

    Dr Elena Tocci

  23. Application of a membrane condenser system for ammonia recovery from humid waste gaseous streams at a minimum energy consumption

    Article • Applied Water Science, April 2022, Springer Science + Business Media

    Dr Elena Tocci

  24. Antifouling graphene oxide-polyvinylidene fluoride mixed matrix membrane for membranes distillation applications

    Article • Desalination and Water Treatment, April 2022, Elsevier

    Dr Elena Tocci

  25. Foreword

    Article • Desalination and Water Treatment, April 2022, Elsevier

    Dr Elena Tocci

  26. Stability of Graphene Oxide Composite Membranes in an Aqueous Environment from a Molecular Point of View

    Article • Applied Sciences, March 2022, MDPI AG

    Dr Elena Tocci

  27. Membrane Science and membrane Engineering for a sustainable industrial development

    Article • Separation and Purification Technology, November 2021, Elsevier

    Dr Elena Tocci

  28. On the Consistency of the Exfoliation Free Energy of Graphenes by Molecular Simulations

    Article • International Journal of Molecular Sciences, August 2021, MDPI AG

    Dr Elena Tocci

  29. Influence of Polyvinylidene Fluoride Polymorphs in Membrane-Assisted Crystallization: NaCl Crystals Nucleation and Growth

    Article • General Chemistry, January 2021, Yaoyi International Publishing

    Dr Elena Tocci

  30. Optical Analysis of the Internal Void Structure in Polymer Membranes for Gas Separation

    Article • Membranes, November 2020, MDPI AG

    Dr Elena Tocci

  31. Computational Approaches in Membrane Science and Engineering

    Article • Computation, April 2020, MDPI AG

    Dr Elena Tocci

  32. Effect of Green Solvents in the Production of PVDF-Specific Polymorphs

    Article • Industrial & Engineering Chemistry Research, February 2020, American Chemical Society (ACS)

    Dr Elena Tocci

  33. Comparison of pure and mixed gas permeation of the highly fluorinated polymer of intrinsic microporosity PIM-2 under dry and humid conditions: Experiment and modelling

    Article • Journal of Membrane Science, January 2020, Elsevier

    Dr Elena Tocci

  34. Graphene stimulates the nucleation and growth rate of NaCl crystals from hypersaline solution via membrane crystallization

    Article • Environmental Science Water Research & Technology, January 2020, Royal Society of Chemistry

    Dr Elena Tocci

  35. Molecular insights on NaCl crystal formation approaching PVDF membranes functionalized with graphene

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Elena Tocci

  36. Experimental and computational study on direct fluorination of PEEKWC membranes

    Article • Separation and Purification Technology, November 2019, Elsevier

    Dr Elena Tocci

  37. Molecular Dynamics of Water Embedded Carbon Nanocones: Surface Waves Observation

    Article • Computation, September 2019, MDPI AG

    Dr Elena Tocci

  38. 110th Anniversary: Selective Recognition of 5-Fluorouracil with Molecular Imprinting Membranes: Molecular Details

    Article • Industrial & Engineering Chemistry Research, July 2019, American Chemical Society (ACS)

    Dr Elena Tocci

  39. Mutual influence of mixed-gas permeation in thermally rearranged poly(benzoxazole-co-imide) polymer membranes

    Article • Journal of Membrane Science, June 2019, Elsevier

    Dr Elena Tocci

  40. PIM-polyimide multiblock copolymer-based membranes with enhanced CO2 separation performances

    Article • Journal of Membrane Science, March 2019, Elsevier

    Dr Elena Tocci

  41. Thin film composite membranes based on a polymer of intrinsic microporosity derived from Tröger's base: A combined experimental and computational investigation of the role of residual casting solvent

    Article • Journal of Membrane Science, January 2019, Elsevier

    Dr Elena Tocci

  42. The origin of size-selective gas transport through polymers of intrinsic microporosity

    Article • Journal of Materials Chemistry A, January 2019, Royal Society of Chemistry

    Dr Elena Tocci

  43. Membrane-Assisted Crystallization: A Molecular View of NaCl Nucleation and Growth

    Article • Applied Sciences, November 2018, MDPI AG

    Dr Elena Tocci

  44. Experimental and modeling study of blended membranes for direct methanol fuel cells

    Article • Journal of Membrane Science, October 2018, Elsevier

    Dr Elena Tocci

  45. Temperature and pressure dependence of gas permeation in amine-modified PIM-1

    Article • Journal of Membrane Science, June 2018, Elsevier

    Dr Elena Tocci

  46. Multiwalled carbon nanotube membranes for water purification

    Article • Separation and Purification Technology, March 2018, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  47. A highly rigid and gas selective methanopentacene-based polymer of intrinsic microporosity derived from Tröger's base polymerization

    Article • Journal of Materials Chemistry A, January 2018, Royal Society of Chemistry

    Dr Elena Tocci, Dr Mariolino Carta

  48. Preparation and Gas Characterization of Poly(phenylene oxide) Containing Imidazolium

    Article • Membrane Journal, December 2017, The Membrane Society of Korea

    Dr Elena Tocci

  49. Sorption and Diffusion of CO 2 /N 2 in gas mixture in thermally-rearranged polymeric membranes: A molecular investigation

    Article • Journal of Membrane Science, April 2017, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  50. Mixed matrix membranes containing functionalized multiwalled carbon nanotubes: Mesoscale simulation and experimental approach for optimizing dispersion

    Article • Journal of Membrane Science, September 2016, Elsevier

    Professor Enrico Drioli, Dr Elena Tocci

  51. Membrane Science and Membrane Engineering in the past years and tomorrow

    Article • MEMBRANE, January 2016, The Membrane Society of Japan

    Dr Elena Tocci

  52. Atomistic Simulations Methods

    Article • January 2016, Springer Science + Business Media

    Dr Elena Tocci

  53. Correction: Conformational features of 4-(N)-squalenoyl-gemcitabine in solution: a combined NMR and molecular dynamics investigation

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Professor Giuseppina De Luca, Dr Elena Tocci

  54. Atomistic Simulations Methods

    Article • January 2015, Springer Science + Business Media

    Dr Elena Tocci

  55. Molecular Dynamics in Membranes

    Article • January 2015, Springer Science + Business Media

    Dr Elena Tocci

  56. Molecular Modeling and Gas Permeation Properties of a Polymer of Intrinsic Microporosity Composed of Ethanoanthracene and Tröger’s Base Units

    Article • Macromolecules, November 2014, American Chemical Society (ACS)

    Dr Mariolino Carta, Dr Elena Tocci

  57. A Simulation Study on OH-Containing Polyimide (HPI) and Thermally Rearranged Polybenzoxazoles (TR-PBO): Relationship between Gas Transport Properties and Free Volume Morphology

    Article • The Journal of Physical Chemistry B, March 2014, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  58. A highly permeable polyimide with enhanced selectivity for membrane gas separations

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Dr Mariolino Carta, Dr Elena Tocci

  59. Influence of the blend composition on the properties and separation performance of novel solvent resistant polyphenylsulfone/polyimide nanofiltration membranes

    Article • Journal of Membrane Science, November 2013, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  60. Assembly of nanocomposite PEBAX membranes: A complementary study of affinity and clusterization phenomena

    Article • Journal of Membrane Science, December 2012, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  61. Thermal Treatment Effect on the Structure and Property Change between Hydroxy-Containing Polyimides (HPIs) and Thermally Rearranged Polybenzoxazole (TR-PBO)

    Article • The Journal of Physical Chemistry B, October 2012, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  62. Pure and Modified Co-Poly(amide-12-b-ethylene oxide) Membranes for Gas Separation Studied by Molecular Investigations

    Article • Membranes, June 2012, MDPI AG

    Dr Elena Tocci, Professor Enrico Drioli

  63. Physicochemical Characterization of Solute Retention in Solvent Resistant Nanofiltration: the Effect of Solute Size, Polarity, Dipole Moment, and Solubility Parameter

    Article • The Journal of Physical Chemistry B, February 2012, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  64. Intrinsic Microporosity Polymers (tb–pims) Membrane of New Generation: Molecular Modelling and Permeation Properties

    Article • Procedia Engineering, January 2012, Elsevier

    Dr Elena Tocci

  65. Physicochemical Characterization of Solute Retention in Solvent Resistant Nanofiltration: the Effect of Solute Size, Polarity, Dipole Moment, and Solubility Parameter

    Article • The Journal of Physical Chemistry B, December 2011, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  66. Preparation of solvent stable polyphenylsulfone hollow fiber nanofiltration membranes

    Article • Journal of Membrane Science, November 2011, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  67. Novel polyphenylsulfone membrane for potential use in solvent nanofiltration

    Article • Journal of Membrane Science, September 2011, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  68. Amorphous Glassy Perfluoropolymer Membranes of Hyflon AD®: Free Volume Distribution by Photochromic Probing and Vapour Transport Properties

    Article • June 2010, Wiley

    Dr Elena Tocci, Professor Enrico Drioli

  69. Pure And Modified Co-poly(amide-12-b-ethylene oxide) Membranes For Gas Separation Studied By Molecular Investigations

    Article • January 2010, American Institute of Physics

    Dr Elena Tocci, Professor Enrico Drioli

  70. Comparative Study of Different Probing Techniques for the Analysis of the Free Volume Distribution in Amorphous Glassy Perfluoropolymers

    Article • Macromolecules, October 2009, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  71. Transport properties of a co-poly(amide-12-b-ethylene oxide) membrane: A comparative study between experimental and molecular modelling results

    Article • Journal of Membrane Science, October 2008, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  72. β-Cyclodextrin interactions with three drugs used in inflammatory pathologies: An experimental and theoretical study

    Article • Chemical Physics Letters, March 2008, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  73. Intermolecular Interactions as Controlling Factor for Water Sorption into Polymer Membranes

    Article • The Journal of Physical Chemistry B, August 2007, American Chemical Society (ACS)

    Dr Elena Tocci, Professor Enrico Drioli

  74. Experimental analysis and simulation of the gas transport in dense Hyflon® AD60X membranes: Influence of residual solvent

    Article • Polymer, April 2007, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  75. Experimental and theoretical evaluation of the membrane affinity to water: role of modifiers in the control of the matrix performance

    Article • Desalination, November 2006, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  76. Influence of residual solvent on the gas transport properties of dense Hyflon® AD 60X gas separation membranes

    Article • Desalination, November 2006, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  77. High-flux composite perfluorinated gas separation membranes of Hyflon® AD on a hollow fibre ultrafiltration membrane support

    Article • Desalination, May 2006, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  78. Molecular simulation of realistic membrane models of alkylated PEEK membranes

    Article • Molecular Simulation, February 2006, Taylor & Francis

    Dr Elena Tocci

  79. Quantum and molecular mechanics calculations on modified silica nano ring

    Article • Journal of Molecular Structure, April 2005, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  80. Diffusion of gases in PEEKs membranes: molecular dynamics simulations

    Article • Journal of Membrane Science, August 2002, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  81. Density functional computations of proton affinity and gas-phase basicity of proline. T. Marino, N. Russo, E. Tocci and M. Toscano.Journal of Mass Spectrometry, 2001;36: 301-305

    Article • Journal of Mass Spectrometry, January 2002, Wiley

    Dr Elena Tocci

  82. Molecular dynamics, density functional and second-order Møller-Plesset theory study of the structure and conformation of acetylcholine in vacuo and in solution

    Article • Theoretical Chemistry Accounts, December 2001, Springer Science + Business Media

    Dr Elena Tocci

  83. A molecular simulation study on β-cyclodextrins included in PEEK membrane

    Article • Journal of Molecular Structure THEOCHEM, May 2001, Elsevier

    Dr Elena Tocci, Professor Enrico Drioli

  84. Zinc octahalotetraphenylporphyrins-AM1 treatment

    Article • Journal of Molecular Structure THEOCHEM, May 2001, Elsevier

    Dr Elena Tocci

  85. Density functional computations of proton affinity and gas-phase basicity of proline

    Article • Journal of Mass Spectrometry, January 2001, Wiley

    Dr Elena Tocci

  86. Gas-phase acidity of proline from density functional computations

    Article • International Journal of Quantum Chemistry, January 2001, Wiley

    Dr Elena Tocci

  87. Molecular Modeling, A Tool for the Knowledge-Based Design of Polymer-Based Membrane Materials

    Article • Wiley

    Dr Elena Tocci