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

1. 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). https://doi:10.1016/j.jcou.2019.09.010
2. 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). https://doi.org/10.1016/j.cej.2020.124022
3. 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) https://doi.org/10.1016/j.jngse.2019.103106
4. 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). https://doi.org/10.1002/admi.201901876
5. 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). https://doi.org/10.1039/D0CP00846J
6. 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). https://doi.org/10.1002/jctb.6341
7. R Rafay, JM Uratani, HH Hernandez, Rodríguez, Growth and nitrate uptake in nannochloropsis gaditana and tetraselmis chuii cultures grown in sequential batch reactors, Frontiers in Marine Science, (2020). https://doi.org/10.3389/fmars.2020.00077
8. 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). https://doi.org/10.1039/C9NJ05631A
9. 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). https://doi.org/10.1016/j.jngse.2019.103106
10. 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).   https://doi.org/10.3390/catal10010095
11. 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). https://doi.org/10.1021/acsanm.0c00200
12. Alamoodi A. Alazzam, Droplet coalescence by Selective wettability enhancement in microfluidic devices, Nanomaterials 10 (4), 737 (2020). https://doi.org/10.3390/nano10040737
13. Abunahla, N. Alamoodi, A. Alazzam, B. Mohammad, Micro-pattern of graphene oxide films using metal bonding, Micromachines, 11 (4), 39 (2020). https://doi.org/10.3390/mi11040399
14. 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.
15. 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). https://doi.org/10.1016/j.molliq.2019.112183.
16. 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). https://doi.org/10.1016/B978-0-12-819051-7.00011-7
17. Al Jitan, G. Palmisano C. Garlisi, Synthesis and surface modification of TiO2-based photocatalysts for the conversion of CO2, Catalysts 10(2), 227, (2020). https://doi.org/10.3390/catal10020227
18. L Ozer, A Yusuf, J Uratani, B Cabal, L Díaz, R Torrecillas, J Moya, J Rodríguez, 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
19. 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
20. Y. Ozer, A. Yusuf, J. M. Uratani, B. Cabal, L. A. Díaz, R. Torrecillas, J. S. Moya, J. Rodríguez, 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
21. Alhajaj, N. Shah, Multiscale design and analysis of CO2 networks, International Journal of Greenhouse Gas Control, 94, 102925 (2020) https://doi.org/10.1016/j.ijggc.2019.102925
22. 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). https://doi.org/10.1016/j.molliq.2019.112294
23. 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). https://doi.org/10.1016/j.molliq.2020.112489
24. 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). https://doi.org/10.1016/j.ijrefrig.2020.01.008
25. 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). https://doi.org/10.1016/j.apsusc.2020.146305
26. 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
27. 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). https://doi.org/10.1016/j.cattod.2018.09.032
28. 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
29. 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

30. 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). https://doi.org/10.1016/j.fluid.2019.03.014
31. 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). https://doi.org/10.3390/en12234422
32. Scandura, J. Rodríguez, G. Palmisano, Hydrogen and propane production from butyric acid photoreforming over Pt-TiO₂, Frontiers in Chemistry 7,  563 (2019)  https://doi.org/10.3389/fchem.2019.00563.
33. 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). https://doi.org/10.1021/acs.iecr.9b00862
34. Scandura, J. Rodríguez, and G. Palmisano, Hydrogen and propane production from butyric acid photoreforming over Pt-TiO2, Frontiers in Chemistry 7 (2019). https://doi.org/10.3389/fchem.2019.00563
35. 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
36. 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). https://doi.org/10.1039/c9cp02548k
37. 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) https://doi.org/10.1016/j.molliq.2019.111645
38. Žerjav, 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). https://doi.org/10.1016/j.cattod.2019.09.027
39. Al Sakkaf, G. Palmisano, T. Delclos, M. López-Muñoz, G. Scandura, In situ DRIFTS-MS study of EDTA photocatalytic degradation, Catalysis Today, (2019). https://doi.org/10.1016/j.cattod.2019.10.002

CONFERENCE PAPERS

PLENARY/KEYNOTE/INVITED TALKS

2020

1. F. Vega, A molecular perspective on the search for efficient processes for CO₂ capture and separation – the role of modeling. Keynote lecture at the 1^st 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.
2. 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.
3. 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.
4. 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

5. 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 18^th, 2019.
6. 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 28^th, 2019.
7. Palmisano, G. Scandura, H. Oladipo, K. Al-Ali, J. Rodríguez, 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.
8. 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 1^th, 2019
9. Abu Zahra, Research and Innovation Center on CO₂ and H₂. Invited presentation, IEAGHG Executive Committee Meeting, Helsinki, May 2019.
10. Palmisano, TiO2-based photocatalysts: production of H2 from H2S and correlation of photoelectrochemical properties to hydrophilicity, Invited lecture, Uppsala University, Uppsala, 29 May 2019.
11. 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, 3^rd International Conference on Chemical Engineering (ANQUE-ICCE 3), Santander, Spain, June 19-21st, 2019. . ISBN: 978-84-09-12430-5, page 371
12. 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.
13. 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 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019.
14. Kyritsis, Selected H2-activities in RICH –
    Ammonia as a carbonless fuel and hydrogen carrier, Invited talk at the 1^st  UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019.
15. Almansoori, Hydrogen Supply Chain Systems with CO₂ mitigation strategies, Invited talk at the 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019.
16. Al-Ali, G. Palmisano, Solar Hydrogen Production
    by thermo/photo-chemical decomposition of H2S, Invited talk at the 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019.

OTHER CONFERENCE CONTRIBUTIONS FROM RICH

2020

17. 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

18. Scandura, J. Rodríguez, 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
19. 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. 3^rd International Conference on Chemical Engineering (ANQUE-ICCE 3), Santander, Spain, June 19-21st, 2019. ISBN: 978-84-09-12430-5, page 369.
20. Al Jitan, Khalid Al-Ali, R. Hashaikeh, G. Palmisano, Photocatalytic conversion of carbon dioxide to fuels, 6^th edition of the international conference “European Conference on Environmental Applications of Advanced Oxidation Processes” (EAAOP6), Portoroz, 26-30 June 2019.
21. Scandura, J. Rodríguez, G. Palmisano, Photocatalytic conversion of biomass to hydrogen, 6^th edition of the international conference “European Conference on Environmental Applications of Advanced Oxidation Processes” (EAAOP6), Portoroz, 26-30 June 2019
22. 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 5^th Post combustion Capture Conference (PCCC-5), KYOTO, SEP 2019
23. Balogun, A. Alhajaj. Feasibility of algae cultivation for BeCCS in the arid environment. IEAGHG 5^th Post combustion Capture Conference (PCCC-5), KYOTO, SEP 2019
24. Varghese, S. Singh, G. Kakosimos, A. Ogungbenro, S. Kuppireddy, G. Karanikolos, Nanostructured Adsorbents and Membranes for Carbon Capture. 16^th International Conference on Nanosciences & Nanotechnologies (NN19), Thessaloniki, Greece, 2019.
25. Ogungbenro, L.F. Vega, M. Abu Zahra, CO₂ capture using biomass- derived activated carbons. IEAGHGG 5^th Post combustion Capture Conference (PCCC-5), Kyoto, Sep 2019.
26. 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 5^th Post-Combustion Capture Conference (PCCC-5), Kyoto, Japan, Sep 17-19, 2019
27. 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
28. 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
29. . 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.
30. 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.
31. Alhajaj, Analysis of the Demand of Hydrogen as Fuel for Transport in UAE , 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019
32. Goussis, H2/air autoignition around the 3rd explosion limit, 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019
33. Palmisano, Photocatalytic production of hydrogen from biomass and hydrogen sulfide, 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019
34. Sinnokrot, Adsorption and Decomposition of Nitrous Oxide on ZnO-doped Graphene: Insights from DFT Computations, 1^st UAE-Japan Hydrogen Workshop, Abu Dhabi, 15^th December 2019
35. F. Vega, Hydrogen: Khalifa University, Kyushu University and IEEJ Collaboration, presented at the UAE – Japan Academic and Industry Collaboration, Abu Dhabi, 16^th December 2019
36. 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.
37. 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.
38. 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.
39. 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.