@article{MTMT:34829600, title = {Monoethanolamine assisted CO2 hydrogenation to methanol – A computational study}, url = {https://m2.mtmt.hu/api/publication/34829600}, author = {Hadjadj, Rachid and Csizmadia, Imre Gyula and Qasim, Hadeer Waleed and Aljaberi , Dalal Karad Thbayh and Viskolcz, Béla and Fiser, Béla}, doi = {10.1016/j.mcat.2024.114091}, journal-iso = {MOL CATAL}, journal = {MOLECULAR CATALYSIS}, volume = {559}, unique-id = {34829600}, issn = {2468-8231}, year = {2024}, eissn = {2468-8274}, orcid-numbers = {Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34762909, title = {Experimental and theoretical aspects of the growth of vertically aligned CNTs by CCVD on AZO substrate}, url = {https://m2.mtmt.hu/api/publication/34762909}, author = {Nánai, Lilla and Németh, Zoltán and Kaptay, György and Hernádi, Klára}, doi = {10.1038/s41598-024-57862-w}, journal-iso = {SCI REP}, journal = {SCIENTIFIC REPORTS}, volume = {14}, unique-id = {34762909}, issn = {2045-2322}, abstract = {An efficient and reproducible growth of vertically aligned carbon nanotubes by CCVD requires accurate and specific setting of the synthesis parameters and the properties of catalyst thin layers. In this work, the growth of vertically aligned carbon nanotubes onto AZO (= aluminum doped zinc oxide) glass substrate covered by Al 2 O 3 and Fe-Co catalyst layer system is presented. Investigation of the effect of catalyst composition and synthesis temperature on CVD growth revealed the optimum condition of the synthesis. The analysis of as-prepared samples by SEM, TEM and Raman spectroscopy was carried out to prove the structure and quality of carbon deposit. Theoretical considerations have supported speculative ideas about the role of the support layer, the transformation of the catalyst layer in the presence of hydrogen gas and the growth mechanism of carbon nanotubes. The mechanism of CNT growth is modelled and the order of magnitude of experimentally observed vertical linear growth rate of CNT (several nm/s) is reproduced.}, year = {2024}, eissn = {2045-2322}, orcid-numbers = {Nánai, Lilla/0000-0002-3216-2210; Németh, Zoltán/0000-0001-7871-3818; Kaptay, György/0000-0003-4419-142X; Hernádi, Klára/0000-0001-9419-689X} } @article{MTMT:34753277, title = {Experimental and numerical study of a photovoltaic/thermal system cooled by metal oxide nanofluids}, url = {https://m2.mtmt.hu/api/publication/34753277}, author = {Alktranee, Mohammed and Al-Yasiri, Qudama and Shehab, Mohammed and Bencs, Péter and Németh, Zoltán and Hernádi, Klára}, doi = {10.1016/j.aej.2024.03.050}, journal-iso = {ALEX ENG J}, journal = {ALEXANDRIA ENGINEERING JOURNAL}, volume = {94}, unique-id = {34753277}, issn = {1110-0168}, year = {2024}, eissn = {2090-2670}, pages = {55-67}, orcid-numbers = {Al-Yasiri, Qudama/0000-0001-6576-5221; Bencs, Péter/0000-0001-7342-4822; Németh, Zoltán/0000-0001-7871-3818; Hernádi, Klára/0000-0001-9419-689X} } @article{MTMT:34717280, title = {The first step of polycyclic aromatic hydrocarbon growth – A case study of hydrogen abstractions by •H, •OH, and •CH3 radical}, url = {https://m2.mtmt.hu/api/publication/34717280}, author = {Reizer, Edina and Tokaji, György Marcell and Palusiak, Marcin and Viskolcz, Béla and Fiser, Béla}, doi = {10.1016/j.comptc.2024.114530}, journal-iso = {COMPUT THEOR CHEM}, journal = {COMPUTATIONAL AND THEORETICAL CHEMISTRY}, volume = {1234}, unique-id = {34717280}, issn = {2210-271X}, year = {2024}, eissn = {2210-2728}, orcid-numbers = {Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34656926, title = {Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis}, url = {https://m2.mtmt.hu/api/publication/34656926}, author = {Hatvani-Nagy, Alpár Ferencz and Hajdu, Viktória and Ilosvai, Mária Ágnes and Muránszky, Gábor and Sikora, Emőke and Kristály, Ferenc and Daróczi, Lajos and Viskolcz, Béla and Fiser, Béla and Vanyorek, László}, doi = {10.1038/s41598-024-54792-5}, journal-iso = {SCI REP}, journal = {SCIENTIFIC REPORTS}, volume = {14}, unique-id = {34656926}, issn = {2045-2322}, abstract = {Toluene diamine (TDA) is a major raw material in the polyurethane industry and thus, its production is highly important. TDA is obtained through the catalytic hydrogenation of 2,4-dinitrotoluene (2,4-DNT). In this study a special hydrogenation catalyst has been developed by decomposition cobalt ferrite nanoparticles onto a natural clay-oxide nanocomposite (bentonite) surface using a microwave-assisted solvothermal method. The catalyst particles were examined by TEM and X-ray diffraction. The palladium immobilized on the bentonite crystal surface was identified using an XRD and HRTEM device. The obtained catalyst possesses the advantageous property of being easily separable due to its magnetizability on a natural mineral support largely available and obtained through low carbon- and energy footprint methods. The catalyst demonstrated outstanding performance with a 2,4-DNT conversion rate exceeding 99% along with high yields and selectivity towards 2,4-TDA and all of this achieved within a short reaction time. Furthermore, the developed catalyst exhibited excellent stability, attributed to the strong interaction between the catalytically active metal and its support. Even after four cycles of reuse, the catalytic activity remained unaffected and the Pd content of the catalyst did not change, which indicates that the palladium component remained firmly attached to the magnetic support's surface.}, keywords = {HYDROGENATION; Ferrite; Magnetic; 2,4-DNT}, year = {2024}, eissn = {2045-2322}, orcid-numbers = {Kristály, Ferenc/0000-0002-0075-5994; Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34656034, title = {Optimum content of incorporated nanomaterials: Characterizations and performance of mixed matrix membranes a review}, url = {https://m2.mtmt.hu/api/publication/34656034}, author = {Younis, Rasheed Taha and Adel, Zrelli and Nejib, Hajji and Qusay, Alsalhy and Shehab, Mohammed and Németh, Zoltán and Hernádi, Klára}, doi = {10.1016/j.dwt.2024.100088}, journal-iso = {DESALIN WATER TREAT}, journal = {DESALINATION AND WATER TREATMENT}, volume = {317}, unique-id = {34656034}, issn = {1944-3994}, year = {2024}, eissn = {1944-3986}, orcid-numbers = {Németh, Zoltán/0000-0001-7871-3818; Hernádi, Klára/0000-0001-9419-689X} } @article{MTMT:34576072, title = {Stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol in urethane formation}, url = {https://m2.mtmt.hu/api/publication/34576072}, author = {Qasim, Hadeer Waleed and Hadjadj, Rachid and Viskolcz, Béla and Fiser, Béla}, doi = {10.1039/D3CP05800J}, journal-iso = {PHYS CHEM CHEM PHYS}, journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, volume = {26}, unique-id = {34576072}, issn = {1463-9076}, abstract = {A computational study of the stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol (DMEA) in urethane formation was performed.}, year = {2024}, eissn = {1463-9084}, pages = {7103-7108}, orcid-numbers = {Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34568149, title = {Exploring Exergy Performance in Tetrahydrofuran/Water and Acetone/Chloroform Separations}, url = {https://m2.mtmt.hu/api/publication/34568149}, author = {Jonathan, Wavomba and Mugo, G.W. and Varbanov, P.S. and Szanyi, Ágnes and Mizsey, Péter}, doi = {10.3390/pr12010014}, journal-iso = {PROCESSES}, journal = {PROCESSES}, volume = {12}, unique-id = {34568149}, issn = {2227-9717}, abstract = {Distillation is significantly influenced by energy costs, prompting a need to explore effective strategies for reducing energy consumption. Among these, heat integration is a key approach, but evaluating its efficiency is paramount. Therefore, this study presents exergy as an energy quality indicator, analyzing irreversibility and efficiencies in tetrahydrofuran/water and acetone/chloroform distillations. Both systems have equimolar feed streams, yielding products with 99.99 mol% purity. The simulations are performed using Aspen Plus™, enabling evaluation at the column level, as a standalone process, or from a lean perspective that considers integration opportunities with other plants. The results show that, despite anticipated energy savings from heat integration, economic viability depends on pressure sensitivity. The results demonstrate that heat-integrated extractive distillation for acetone/chloroform raises utility energy consumption. Exergy calculations comparing standalone and total site integration reveal the variation in distillation efficiency with operation mode. Global exergy efficiency in both extractive and pressure-swing distillation depends on the fate of condenser duty. In heat-integrated extractive distillation, global exergy efficiency drops from 8.7% to 5.7% for tetrahydrofuran/water and 11.5% to 8.3% for acetone/chloroform. Similarly, heat-integrated pressure-swing distillation sees global exergy efficiency decrease from 34.2% to 23.7% for tetrahydrofuran/water and 9.5% to 3.6% for acetone/chloroform, underscoring the nuanced impact of heat integration, urging careful process design consideration. © 2023 by the authors.}, keywords = {Computer modeling; Environmental impact; Heat integration; Process intensification; Thermodynamic efficiency; distillation energy efficiency}, year = {2024}, eissn = {2227-9717}, orcid-numbers = {Mizsey, Péter/0000-0002-6976-6210} } @article{MTMT:34566082, title = {Super-antifouling PES nanocomposite membrane encapsulated silica nanoparticles and coated nano-Ag/polyvinyl alcohol layer}, url = {https://m2.mtmt.hu/api/publication/34566082}, author = {Alanezi, Adnan Alhathal and Abdallah, Heba and Shalaby, Marwa S. and Aljumaily, Mustafa M. and Alsalhy, Qusay F. and Shaban, Mohamed and Németh, Zoltán and Hernádi, Klára}, doi = {10.1016/j.aej.2024.01.079}, journal-iso = {ALEX ENG J}, journal = {ALEXANDRIA ENGINEERING JOURNAL}, volume = {91}, unique-id = {34566082}, issn = {1110-0168}, year = {2024}, eissn = {2090-2670}, pages = {103-114}, orcid-numbers = {Abdallah, Heba/0000-0003-4766-7374; Alsalhy, Qusay F./0000-0002-0495-1300; Németh, Zoltán/0000-0001-7871-3818; Hernádi, Klára/0000-0001-9419-689X} } @article{MTMT:34533660, title = {Oxyfuel Combustion Makes Carbon Capture More Efficient}, url = {https://m2.mtmt.hu/api/publication/34533660}, author = {Talei, Saeed and Fozer, D. and Varbanov, P.S. and Szanyi, Ágnes and Mizsey, Péter}, doi = {10.1021/acsomega.3c05034}, journal-iso = {ACS OMEGA}, journal = {ACS OMEGA}, volume = {9}, unique-id = {34533660}, issn = {2470-1343}, abstract = {Fossil energy carriers cannot be totally replaced, especially if nuclear power stations are stopped and renewable energy is not available. To fulfill emission regulations, however, points such as emission sources should be addressed. Besides desulfurization, carbon capture and utilization have become increasingly important engineering activities. Oxyfuel technologies offer new options to reduce greenhouse gas emissions; however, the use of clean oxygen instead of air can be dangerous in the case of certain existing technologies. To replace the inert effect of nitrogen, carbon dioxide is mixed with oxygen gas in the case of such air combustion processes. In this work, the features of carbon capture in five different flue gases of air combustion and such oxyfuel combustion where additional carbon dioxide is mixed with clean oxygen are studied and compared. The five different flue gases originate from the gas-fired power plant, coal-fired power plant, coal-fired combined heat and power plant, the aluminum production industry, and the cement manufacturing industry. Monoethanolamine, which is an industrially preferred solvent for carbon dioxide capture from gas streams at low pressures, is selected as an absorbent, and the same amount of carbon dioxide is captured; that is, always that amount of carbon dioxide is captured, which is the result of the fossil combustion process. ASPEN Plus is used for mathematical modeling. The results show that the oxyfuel combustion cases need significantly less energy, especially at high carbon dioxide removal rates, e.g., higher than 90%, than that of the air combustion cases. The savings can even be as high as 84%. Moreover, 100% carbon capture was also be completed. This finding can be due to the fact that in the oxyfuel combustion cases, the carbon dioxide concentration is much higher than that of the air combustion cases because of the inert carbon dioxide and that higher carbon dioxide concentration results in a higher driving force for the mass transfer. The oxyfuel combustion processes also show another advantage over the air combustion processes since no nitrogen oxides are produced in the combustion process. © 2024 The Authors. Published by American Chemical Society.}, year = {2024}, eissn = {2470-1343}, pages = {3250-3261}, orcid-numbers = {Mizsey, Péter/0000-0002-6976-6210} }