- Publications
- Patents
The RICH members play a pivotal role in publicizing the center’s activities and disseminating and sharing knowledge, both with the local and international communities. Since the announcement of the Center’s establishment in early February 2019, RICH members have been presenting in conferences, attending research workshops and symposiums, and participating in scientific committees and university visits. Below is a list of some activities.
2020
- I.I. Alkhatib, L.M.C. Pereira, A. AlHajaj, L.F. Vega, Performance of Non-Aqueous Amine Hybrid Solvents Mixtures for CO2 Capture: a Study Using a Molecular-Based Model, Journal of CO2 utilization 35, 126-144 (2020).
- Varghese, K. Suresh Kumar Reddy, S. Singh, G. N. Karanikolos, Performance enhancement of CO2 capture adsorbents by UV treatment: The case of self-supported graphene oxide foam, Chemical Engineering Journal, 386, 124022 (2020).
- A Mehmood, H Alhasani, N Alamoodi, YF AlWahedi, S Ibrahim, A Raj, An evaluation of kinetic models for the simulation of Claus reaction furnaces in sulfur recovery units under different feed conditions, Journal of Natural Gas Science and Engineering 74, 103106 (2020)
- R. Bang, D. Bahamon, L.F. Vega, and E.S. Cho. Design of sub‐nanochannels between graphene oxide sheets via crown ether intercalation to selectively regulate cation permeation, Advanced Materials Interfaces, 1901876, (2020).
- I.I. Alkhatib, L. Pereira, J. Torne, L. F. Vega, Polar soft-SAFT: theory and comparison with molecular simulations and experimental data of pure polar fluids, Phys. Chem. Chem. Phys. 22, 13171-13191, (2020).
- Ibrahim, F. Banat, A.F. Youssef, D. Bahamon, L.F. Vega, and S.W.Hasan, Surface modification of anti-fouling novel cellulose/graphene oxide (GO) nanosheets (NS) microfiltration membranes for seawater desalination applications, Journal of Chemical Technology and Biotechnology, 95 (7), pp. 1915-1925, (2020).
- R Rafay, JM Uratani, HH Hernandez, ǻíܱ, Growth and nitrate uptake in nannochloropsis gaditana and tetraselmis chuii cultures grown in sequential batch reactors, Frontiers in Marine Science, (2020).
- Q. Dang, K. Al-Ali, The synthesis and investigation of the reversible conversion of layered ZrS2 and ZrS3, New Journal of Chemistry, 44(18), 7583-7590 (2020).
- Mehmood, H. Alhasani, N. Alamoodi, Y. F. AlWahedi, S. Ibrahim, A. Raj, An evaluation of kinetic models for the simulation of Claus reaction furnaces in sulfur recovery units under different feed conditions, Journal of Natural Gas Science and Engineering 74, 103106, (2020).
- Tabish,M.A. Varghese, M.A. Wahab, G. N. Karanikolos, Perovskites in the energy grid and CO2 conversion: Current context and future directions, Catalysts, 10(1) (2020).
- Alazzam N. Alamoodi, Microfluidic devices with patterned wettability using graphene oxide for continuous liquid–liquid two-phase separation, ACS Applied Nano Materials 3(4),.3471–3477 (2020).
- Alamoodi A. Alazzam, Droplet coalescence by Selective wettability enhancement in microfluidic devices, Nanomaterials 10 (4), 737 (2020).
- Abunahla, N. Alamoodi, A. Alazzam, B. Mohammad, Micro-pattern of graphene oxide films using metal bonding, Micromachines, 11 (4), 39 (2020).
- Bahamon, A.E. Ogungbenro, M. Khaleel, M.R.M. Abu-Zahra, L.F. Vega, Performance of activated carbons derived from date seeds in CO2 Swing Adsorption determined by combining experimental and molecular simulation data, Industrial & Engineering Chemistry Research 59, 7161-7173 (2020). https://doi.org/10.1021/acs.iecr.9b05542.
- I. Alkhatib, D. Bahamon, F. Llovell, M. R. M. Abu-Zahra, L. F. Vega, Perspectives and guidelines on thermodynamic modelling of deep eutectic solvents, Journal of Molecular Liquids 298, 112183 (2020). .
- Garlisi, S. Jitan, F. Parrino, G. Palmisano, Graphene-based hybrid photocatalysts: a promising route toward high-efficiency photocatalytic water remediation, Handbook of Smart Photocatalytic Materials, pp. 325-359 (2020).
- Al Jitan, G. Palmisano C. Garlisi, Synthesis and surface modification of TiO2-based photocatalysts for the conversion of CO2, Catalysts 10(2), 227, (2020).
- L Ozer, A Yusuf, J Uratani, B Cabal, L Díaz, R Torrecillas, J Moya, J ǻíܱ, G Palmisano, Water microbial disinfection via supported nAg/Kaolin in a fixed-bed reactor configuration, Applied Clay Science 184, 105387 (2020). https:doi.org//10.1016/j.clay.2019.105387
- A Yusuf, H Oladipo, L Yildiz Ozer, C Garlisi, V Loddo, M Abu-Zahra, G Palmisano, Modelling of a recirculating photocatalytic microreactor implementing mesoporous N-TiO2 modified with graphene, Chemical Engineering Journal 391, 123574 (2020). https:doi.org//10.1016/j.cej.2019.123574
- Y. Ozer, A. Yusuf, J. M. Uratani, B. Cabal, L. A. Díaz, R. Torrecillas, J. S. Moya, J. ǻíܱ, G. Palmisano, Water microbial disinfection via supported nAg/Kaolin in a fixed-bed reactor configuration, Applied Clay Science 184, 105387 (2020).
- Alhajaj, N. Shah, Multiscale design and analysis of CO2 networks, International Journal of Greenhouse Gas Control, 94, 102925 (2020)
- M. C. Silva, J. Justino, P. Morgado, M. Teixeira, L.M.C. Pereira, L F. Vega, E. J. M. Filipe, Detailed surface characterization of highly fluorinated liquid alcohols: experimental surface tensions, molecular simulations and soft-SAFT theory, Journal of Molecular Liquids 300, 112294 (2020).
- L. Ferreira, J. M. M. Araújo, L. F. Vega, F. Llovell, A.B. Pereiro, Functionalization of fluorinated ionic liquids: a combined experimental-theoretical study, Journal of Molecular Liquids 302, 112489 (2020).
- G. Albà, L.F. Vega, F. Llovell, A consistent thermodynamic molecular model of n-hydrofluorolefins and blends for refrigeration applications, International Journal of Refrigeration 113, 145-155 (2020).
- A. AlKhoori, K. Polychronopoulou, A. Belabbes, M. Abu Jaoude, L.F. Vega, V. Sebastian, S. Hinder, M. A. Baker, A. Zedan, Cu, Sm Co-Doping effect on the CO oxidation activity of CeO2: a combined experimental and density functional study, Applied Surface Science 521, 146305 (2020).
- Oladipo, C. Garlisi, J. Sa, E. Lewin, K. Al-Ali, G. Palmisano, Unveiling the role of bisulfide in the photocatalytic splitting of H2S in aqueous solutions, Applied Catalysis B: Environmental 270, 118886 (2020). https://doi.org/10.1016/j.apcatb.2020.118886
- Alkhatib, C. Garlisi, M. Pagliaro, K. Al-Ali, G. Palmisano, Metal-organic frameworks for photocatalytic CO2 reduction under visible radiation: A review of strategies and applications, Catalysis Today 340,.209-224 (2020).
- D Russo, M Muscetta, L Clarizia, I Di Somma, C Garlisi, R Marotta, G Palmisano, R Andreozzi, Photoactivated Fe(III)/Fe(II)/WO3–Pd fuel cell for electricity generation using synthetic and real effluents under visible light, Renewable Energy 147, 1070-1081 (2020). https:doi.org//10.1016/j.renene.2019.09.080
- M Bellardita, C Garlisi, L Ozer, A Venezia, J Sá, F Mamedov, L Palmisano, G Palmisano, Highly stable defective TiO2-x with tuned exposed facets induced by fluorine: Impact of surface and bulk properties on selective UV/visible alcohol photo-oxidation, Applied Surface Science 510, 145419, (2020). https:doi.org//10.1016/j.apsusc.2020.145419
2019
- Bahamon, R.M. Abu-Zahra, L.F. Vega, Molecular simulations of carbon-based materials for selected CO2 separation and water treatment processes. Fluid Phase Equilibria 492, 10-25 (2019).
- T. Khalil, D.M. Manias, E.A. Tingas , D.C. Kyritsis, D.A. Goussis, Algorithmic Analysis of Chemical Dynamics of the Autoignition of NH3–H2O2/Air Mixtures, Energies 12, 4422-4435 (2019).
- Scandura, J. ǻíܱ, G. Palmisano, Hydrogen and propane production from butyric acid photoreforming over Pt-TiO2, Frontiers in Chemistry 7, 563 (2019) .
- I. Alkhatib, L. M. C. Pereira, L. F. Vega, 110th Anniversary: accurate modeling of the simultaneous absorption of H2S and CO2 in aqueous amine solvents, Industrial & Engineering Chemistry Research 58(16), 6870–6886 (2019).
- Scandura, J. ǻíܱ, and G. Palmisano, Hydrogen and propane production from butyric acid photoreforming over Pt-TiO2, Frontiers in Chemistry 7 (2019).
- Bahamon, M.R.M. Abu-Zahra, L.F. Vega, Molecular simulations of carbon-based materials for selected CO2 separation and water treatment processes, Fluid Phase Equilibria 492, 10-25 (2019). https://doi.org/10.1016/j.fluid.2019.03.014
- A. Crespo, L.P. Silva, J.O. Lloret, P.J. Carvalho, L.F. Vega, F. Llovell, J.A.P. Coutinho, A Methodology to Parameterize SAFT-type Equations of State for Solid Precursors of Deep Eutectic Solvents: The Example of Cholinium Chloride, Physical Chemistry Chemical Physics, 21, 15046-15061 (2019).
- L. Ferreira, F. Llovell, L. F. Vega, A. B. Pereiro, J.M. M. Araújo, Systematic study of the influence of the molecular structure of fluorinated ionic liquids on the solubilization of atmospheric gases using a soft-SAFT based approach, Journal of Molecular Liquids 294, 111645 (12 pages) (2019)
- ŽᲹ, G. Scandura, C. Garlisi, G. Palmisano, A. Pintar, Sputtered vs. sol-gel TiO2-doped films: characterization and assessment of aqueous bisphenol A oxidation under UV and visible light radiation, Catalysis Today, (2019).
- Al Sakkaf, G. Palmisano, T. Delclos, M. López-Muñoz, G. Scandura, In situ DRIFTS-MS study of EDTA photocatalytic degradation, Catalysis Today, (2019).
CONFERENCE PAPERS
PLENARY/KEYNOTE/INVITED TALKS
2020
- F. Vega, A molecular perspective on the search for efficient processes for CO2 capture and separation – the role of modeling. Keynote lecture at the 1st Iberian Conference on Supercritical Fluids (former FLUCOMP) conference organized in parallel with the “International Conference on Aerogels for Biomedical and Environmental Applications” (organized by the AERoGELS COST Action), Santiago de Compostela, Spain, 18-19 February 2020.
- F. Vega, Women in Power, Invited panelist at the event in the framework of the Middle East Electricity (MEE) 2020, under the patronage of H.H. Sheikh Maktoum bin Mohammed bin Rashid Al Maktoum, Dubai Deputy Ruler, Dubai World Trade Centre, Dubai, UAE, 3-5 March 2020.
- F. Vega (presenter), M. Elabyouki, D. Bahamon, M. Khaleel. Understanding the performance of hierarchical carbon electrodes for lithium-air batteries by molecular dynamics simulations. Keynote lecture at the International Conference on Nanomaterials (e-conference), Sofia, Bulgary (online), 19-20 May 2020.
- F. Vega. Open Innovation: from research to market. Invited lecture (2 hours) in the graduate course “Introduction to Research in Chemical Engineering”, Expertia program. Master in Chemical Engineering and Environmental Technologies (remote connection). Zaragoza. Spain, 22 May 2020.
2019
- F. Vega, Research and Innovation Center on CO2 and H2. Invited presentation at the UAE-Japan Industry-Academia Collaboration Steering Board Meeting, Khalifa University, Abu Dhabi, UAE, February 18th, 2019.
- F. Vega, Research & Development in industry and the importance of knowing market needs. Invited plenary lecture at the Graduate Course in R&D Management and the Master in Chemical Engineering at the Universidad de Zaragona, Spain, March 28th, 2019.
- Palmisano, G. Scandura, H. Oladipo, K. Al-Ali, J. ǻíܱ, Current trends on the photocatalytic production of H2, Workshop , Invited talk, Joint Academic Development Centre on new generation biofuels for future clean energy and transport”, Abu Dhabi, 5 March 2019.
- F. Vega, Climate Change: what to do? Are we running out of time? Invited lecture at the Academy of Mathematics, Physical Chemistry and Natural Sciences of Granada, Spain, April 1th, 2019
- Abu Zahra, Research and Innovation Center on CO2 and H2. Invited presentation, IEAGHG Executive Committee Meeting, Helsinki, May 2019.
- Palmisano, TiO2-based photocatalysts: production of H2 from H2S and correlation of photoelectrochemical properties to hydrophilicity, Invited lecture, Uppsala University, Uppsala, 29 May 2019.
- A. Crespo, L. P. Silva, F. Llovell, P.J. Carvalho, L. F. Vega, J. A. P. Coutinho, Modelling the thermophysical properties and phase equilibria of deep eutectic solvents, 3rd International Conference on Chemical Engineering (ANQUE-ICCE 3), Santander, Spain, June 19-21st, 2019. . ISBN: 978-84-09-12430-5, page 371
- Palmisano, S. Al Jitan, R. Al Sakkaf, C. Garlisi, H. Oladipo, G. Scandura, A. Yusuf, Photocatalysts for glass functionalization, environmental remediation, hydrogen generation and CO2 reduction, Invited lecture, Department of Inorganic Chemistry, University of Ljubljana, Ljubljana, 8 July 2019.
- F. Vega, The role of H2– a UAE and global outlook. Why a center on CO2 and H2 at KU, Keynote lecture/Inaugural lecture at the 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019.
- Kyritsis, Selected H2-activities in RICH –
Ammonia as a carbonless fuel and hydrogen carrier, Invited talk at the 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019. - Almansoori, Hydrogen Supply Chain Systems with CO2 mitigation strategies, Invited talk at the 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019.
- Al-Ali, G. Palmisano, Solar Hydrogen Production
by thermo/photo-chemical decomposition of H2S, Invited talk at the 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019.
OTHER CONFERENCE CONTRIBUTIONS FROM RICH
2020
- Bahamon (presenter), E. S. Cho, K. R. Bang, L. F. Vega, Design of hybrid graphene oxide membranes via crown ether intercalation for water desalination. Poster presented at the International Conference on Nanomaterials (e-conference), Sofia, Bulgary (online), 19-20 May 2020
2019
- Scandura, J. ǻíܱ, G. Palmisano, Hydrogen production from butyric acid photoreforming over Pt-TiO2 (Oral), Hydrogen days 2019 – 10th International conference on hydrogen technologies, Prague, 27-29 March 2019
- Llovell, L.F. Vega. Describing the impact of impurities on the thermophysical properties of CO2 at pipeline transport conditions with the extended soft-SAFT EoS. 3rd International Conference on Chemical Engineering (ANQUE-ICCE 3), Santander, Spain, June 19-21st, 2019. ISBN: 978-84-09-12430-5, page 369.
- Al Jitan, Khalid Al-Ali, R. Hashaikeh, G. Palmisano, Photocatalytic conversion of carbon dioxide to fuels, 6th edition of the international conference “European Conference on Environmental Applications of Advanced Oxidation Processes” (EAAOP6), Portoroz, 26-30 June 2019.
- Scandura, J. ǻíܱ, G. Palmisano, Photocatalytic conversion of biomass to hydrogen, 6th edition of the international conference “European Conference on Environmental Applications of Advanced Oxidation Processes” (EAAOP6), Portoroz, 26-30 June 2019
- Alhajaj, S. Almenhali, H. Balogun, D. Bahamon, L F. Vega. Integrated approach for the design of novel adsorption processes for CO2 capture using multiscale modelling. IEAGHG 5th Post combustion Capture Conference (PCCC-5), KYOTO, SEP 2019
- Balogun, A. Alhajaj. Feasibility of algae cultivation for BeCCS in the arid environment. IEAGHG 5th Post combustion Capture Conference (PCCC-5), KYOTO, SEP 2019
- Varghese, S. Singh, G. Kakosimos, A. Ogungbenro, S. Kuppireddy, G. Karanikolos, Nanostructured Adsorbents and Membranes for Carbon Capture. 16th International Conference on Nanosciences & Nanotechnologies (NN19), Thessaloniki, Greece, 2019.
- Ogungbenro, L.F. Vega, M. Abu Zahra, CO2 capture using biomass- derived activated carbons. IEAGHGG 5th Post combustion Capture Conference (PCCC-5), Kyoto, Sep 2019.
- I. I. Alkhatib, L. M.C. Pereira, A. Al Hajaj, M. Abu Zahra, L. F. Vega A Robust Molecular-Based Screening Tool for New Solvents for Post-Combustion CO2 Capture, IEAGHGG 5th Post-Combustion Capture Conference (PCCC-5), Kyoto, Japan, Sep 17-19, 2019
- Kyritsis, Laser diagnostics for low-carbon-footprint energy conversion, presented at Joint Workshop between KU and China University of Petroleum in Beijing, Beijing, China, 2019
- Rabbani, D. Manias, D. C. Kyritsis, D.A. Goussis, Influence of chemical kinetics in rich autoignition; the case of methanol/air mixtures, International Mechanical Engineering Congress and Exposition (ASME), November 15-19, 2020, Portland, OR, USA
- . Bahamon, N. Alkhatib, R. Bang, E. S. Cho, M. Abu Zahra, M. Khaleel and L. F. Vega. Molecular Simulations of Carbon-Based Adsorbents/Membrane Materials for Sustainable Processes, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- G. Martinez, D. Bahamon, F. Llovell, L.F. Vega, Understanding the Behavior of Degraded Amine Products on CO2 Capture in Aqueous Amines By Molecular Simulations, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- Alhajaj, Analysis of the Demand of Hydrogen as Fuel for Transport in UAE , 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019
- Goussis, H2/air autoignition around the 3rd explosion limit, 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019
- Palmisano, Photocatalytic production of hydrogen from biomass and hydrogen sulfide, 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019
- Sinnokrot, Adsorption and Decomposition of Nitrous Oxide on ZnO-doped Graphene: Insights from DFT Computations, 1st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15th December 2019
- F. Vega, Hydrogen: Khalifa University, Kyushu University and IEEJ Collaboration, presented at the UAE – Japan Academic and Industry Collaboration, Abu Dhabi, 16th December 2019
- I.I. Alkhatib, L.M.C. Pereira, A. Al Hajaj, M. Abu Zahra, L.F. Vega, A Molecular-Based Screening Tool for Water-Free Amine Solvents for CO2 Capture, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- Bahamon, S. Alareeqi, H. Nasim, R. Nogueira, L. F. Vega, New Insights into the Effect of CO2 and NaCl Aqueous Solution on the Adsorption Behavior of Corrosion Inhibitors through Molecular Simulations, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- Bahamon, H. Al Araj, A. Al Najjar, E. J. Garcia, TJ Zhang, M. Khaleel, L. F. Vega, Understanding the Adsorption of 4th Generation Refrigerants on Metal-Organic Frameworks by Molecular Simulations, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- Justino, G. M. C. Silva, P. Morgado, L. M.C. Pereira, L. F. Vega, E. Filipe, Complete Surface Tension Characterization of Fluorinated Alcohols and Their Mixtures with Hydrogenated Alcohols: Experimental, Soft-SAFT-DGT Modeling and MD Simulations, American Institute of Chemical Engineers Annual Meeting, AIChE2019, Orlando, FL, USA, November 10-15, 2019.
- C. Kyritsis. “Electrostatically manipulated flames for compact heat generation” US Patent No. 10,677,455, June 2020.
- Palmisano and C. Garlisi, “Superhydrophilic and antifogging non-porous TiO2 films for glass and methods of providing the same,” US Patent 10570056, 25 February 2020.
Title: Pd and Carbon Molecular Sieve Membranes for Hydrogen Separation and Production
Speaker: Dr. Alfredo Pacheco, Researcher, Tecnalia (Spain)
Date: March 2021
Dr. Pacheco presented the challenges involved in the simultaneous production and separation of hydrogen gas. He discussed recent developments of supported palladium alloy and carbon molecular sieve membranes and subsequent design of advanced membrane catalytic reactors to produce sustainably hydrogen from steam reforming of methane and fuels (MeOH, DME). The talk encompassed a number of key examples and case studies supporting the development of industrially relevant materials and novel processes.
Title: Mechanistic Aspects of Catalytic Reactions for Hydrogen Production, Purification, and Utilization
Speaker: Dr. Kyriaki Polychronopoulou, Professor of Mechanical Engineering and Director of CeCaS, Khalifa University
Date: April 2021
Dr. Polychronopoulou presented her recent works on the mechanistic aspects of catalytic reactions relevant to the hydrogen (H2) production, purification and utilization. The critical catalyst’s characteristics to be considered to design industrially-durable catalysts, including the control and role of acid sites, defects engineering strategies and metal-support interfaces were discussed in depth. She presented a high level analysis of key chemical engineering processes involved into dry reforming of methane, as well as CO-PROX and heptane hydrocracking.

Dr. Lourdes Vega, Director of the Research and Innovation Center on CO2 and H2 (RICH) and Professor of Chemical Engineering at KU, participated in a panel on the “Challenges and opportunities for green hydrogen production,” which was hosted by the Chemical Engineering Department of King Fahd University of Petroleum and Minerals, on Monday, 7 December 2020.
During the panel, she spoke about the how the hydrogen economy can help tackle various critical energy challenges while also strengthening energy security.
Following is an overview of Dr. Vega’s talk during the panel:
Of special interest to the region is the production of hydrogen using the available resources. In 1982, it was found that RuO2-loaded CdS-particles dispersed in aqueous sulfide solutions could split H2S into hydrogen and sulfur under visible light illumination, which indicated the possibility of operating industrial procedures for H2S splitting. From a thermodynamic viewpoint, the direct decomposition of H2S requires much less energy than H2O splitting indicating that H2S decomposition is theoretically a more favorable route for H2 generation. After a general overview, I will present some of the work we are doing on materials and process for producing green hydrogen, focused on photocatalytic water splitting and hydrogen sulfide conversion. A combined computational modeling-experimental approach is used for this purpose, in which DFT calculations allow to investigate reaction mechanisms and to predict unknown properties, guiding the search for the optimal photocatalytic material. Results on our work on materials for high-capacity, reliable-availability H2 storage including storage in porous media (MOFs and hybrid materials) will also be presented. Finally, I will give some perspectives on key challenges and opportunities for large-scale hydrogen utilization.

Prof. Lourdes Vega participated as an invited speaker in a panel session, titled “How to control risks introduced by new sustainable technologies, hydrogen case study” during the Aviation Sustainability Conference, held on 25 November 2020. Dr. Vega discussed the role of hydrogen as a promising technological enabler on the path towards sustainable aviation. As the Director of the Research and Innovation Center on CO2 and Hydrogen (RICH), she contributed valuable insight into how hydrogen-based technologies can be leveraged to power aircrafts, as well as the technological challenges and opportunities for the development and implementation of green hydrogen at the scale needed for aviation, in a sustainable and safe manner.