2024 News

June 2024: Hasan Ismaeel wins the Helmut Knapp Best Poster Award for the paper entitled "Modelling Gas and Vapor Sorption in Copolymer Membranes: A Predictive Approach Using PC-SAFT & the Dry Glass Reference Perturbation Theory". Congratulations Hasan!

- June 2024:  ESAT 2024 conference hosted by our group is now over, it was a big success with delegates from the 5 continents. 

- May 2024: Grazia De Angelis gives a webinar entitled "Fundamentals of fluid sorption and transport in solid materials with application to gas separation, hydrogen handling, packaging and water purification" to the researchers of ExxonMobil, USA.

-April 2024: Kseniya Papchenko wins the Best Poster Award at the Materials Research Exchange in London

-April 2024: Our review paper "Exploring the membrane-based separation of CO2/CO mixtures for CO2 capture and utilisation processes: Challenges and opportunities" has been published Open Access on Separation and Purification Technology. Enjoy it!

-March 2024: Our new paper "Molecular Simulations of Hydrogen Sorption in Semicrystalline High-Density Polyethylene: The Impact of the Surface Fraction of Tie-Chains" has been published Open Access on Journal of Physical Chemistry B. Enjoy it!

-February 2024Kseniya Papchenko succesfully completed her PhD on "Development and Modelling of Sustainable Polymer-based Membranes for Gas Separation and Packaging" Congratulations Kseniya!

-January 2024: our newPostdoc Maryam Zarghami joined the group to work on the Redial project!

-November 2023: our new paper "Estimating Gas Sorption in Polymeric Membranes from the Molecular Structure: A Machine Learning Based Group Contribution Method For The Non- Equilibrium Lattice Fluid Model (ML-GC-NELF)" is published on Journal of Membrane Science open accesshttps://doi.org/10.1016/j.memsci.2023.122220

-October 2023: REDIAL project was on the news! 

BBC ScotlandThe Herald; Renal InterventionsKidney Research UK

 Press REDIAL 

-September 2023: our new paper "In silico screening of nanoporous materials for urea removal in hemodialysis applications" is published on PCCP open accesshttps://pubmed.ncbi.nlm.nih.gov/37655458/

-June 2023: PhD Student Thomas Fabiani wins third prize as the best Presentation at the Fluid Separation IChemE event in Lancaster, with a work entitled "In Silico Approach for Screening of Nanoporous Materials for Urea Adsorption in Hemodialysis Application". Congratulation Thomas!

-Apr 2023: the project entitled "Redefining hemodialysis with data-driven materials innovation: towards miniaturization and the wearable artificial kidney ", ref: KS_RP_012_20221129  has been approved for funding by Kideny Research UK (£ 180,644.56). The PI is prof. Grazia De Angelis and the co-Is are dr. Simone Dimartino from the Institute of Bioengineering and prof. Sotirios Tsaftaris from the Institute of Digital Communications. The program will last 2 years and will study, using AI and molecular simulation techniques, optimal materials for the removal of uremic toxins from dialysate streams with the aim of developing wearable dialysis. 

-April 2023: a new Open Access paper published on Polymers ! "Modelling across Multiple Scales to Design Biopolymer Membranes for Sustainable Gas Separations: 1—Atomistic Approach" Polymers 2023, Volume 15, Issue 7, 1805, by K. Papchenko, E.Ricci, M.G. De Angelis, a fresh insight based on Molecular Simulation of the gas separation properties of biopolymers (polyhydroxyalkanoates). Download it for free at 10.3390/polym15071805

-March 2023: PhD student Kseniya Papchenko wins the best Flash Poster Presentation award at ChemEngDayUK 2023 hosted by Queens's University Belfast. Kseniya works on new biodegradable materials for packaging and membrane separations, an important research for shaping a sustainable future. Linkedin post 

-March 2023: New OPEN ACCESS publication "Multi-scale modeling of gas solubility in semi-crystalline polymers: bridging Molecular Dynamics with Lattice Fluid Theory https://doi.org/10.1016/j.fluid.2023.113798 !  Another step towards the understanding of gas sorption in semicrystalline material, so relevant for hydrogen handling and confinement  https://lnkd.in/eqhYHNb4