TY - JOUR AU - Szabó, Blanka AU - Takács, Márton AU - Domján, Attila AU - Barta-Rajnai, Eszter AU - Valyon, József AU - Hancsók, Jenő AU - Barthos, Róbert TI - Liquid phase pyrolysis of wheat straw and poplar in hexadecane solvent JF - JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS J2 - J ANAL APPL PYROL VL - 137 PY - 2019 SP - 237 EP - 245 PG - 9 SN - 0165-2370 DO - 10.1016/j.jaap.2018.11.032 UR - https://m2.mtmt.hu/api/publication/30365526 ID - 30365526 N1 - Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2, Budapest, 1117, Hungary MOL Hungarian Oil and Gas Plc., Downstream Technology and Project Development, P.O. Box 1, Százhalombatta, 2443, Hungary NMR Laboratory, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2, Budapest, 1117, Hungary University of Pannonia, Institute of Chemical and Process Engineering, Veszprém, 8201, Hungary Cited By :2 Export Date: 18 November 2022 CODEN: JAAPD Correspondence Address: Barthos, R.; Institute of Materials and Environmental Chemistry, Magyar tudósok körútja 2, Hungary; email: barthos.robert@ttk.mta.hu LA - English DB - MTMT ER - TY - JOUR AU - Novodárszki, Gyula AU - Valyon, József AU - Illés, Ádám AU - Dóbé, Sándor AU - Deka, Dhanapati AU - Hancsók, Jenő AU - Rosenbergerné Mihályi, Magdolna TI - Heterogeneous hydroconversion of levulinic acid over silica-supported Ni catalyst JF - REACTION KINETICS MECHANISMS AND CATALYSIS J2 - REACT KINET MECH CATAL VL - 126 PY - 2019 IS - 2 SP - 795 EP - 810 PG - 16 SN - 1878-5190 DO - 10.1007/s11144-018-1507-9 UR - https://m2.mtmt.hu/api/publication/30365523 ID - 30365523 N1 - Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2, Budapest, 1117, Hungary Biomass Conversion Laboratory, Department of Energy, Tezpur University, Tezpur, India Institute of Chemical and Process Engineering, University of Pannonia, Veszprém, 8201, Hungary Cited By :3 Export Date: 19 February 2022 Correspondence Address: Mihályi, M.R.; Institute of Materials and Environmental Chemistry, Magyar tudósok körútja 2, Hungary; email: mihalyi.magdolna@ttk.mta.hu Funding details: GINOP-2.3.2-15-2016-00053 Funding details: European Commission, EC, TÉT_15-1-2016-0089, TÉT_15_IN-1-2016-0034 Funding details: European Cooperation in Science and Technology, COST, FP1306 Funding text 1: The authors acknowledge the financial support of the project of the Economic Development and Innovation Operative Program of Hungary, GINOP-2.3.2-15-2016-00053: Development of liquid fuels having high hydrogen content in the molecule (contribution to sustainable mobility). The Project is supported by the European Union. Thanks are also due to the Indo-Hungarian project entitled ?Biochemicals and biofuels from lignocellulosic biomass by Green catalytic processes? (Grant No. T?T_15_IN-1-2016-0034) and the Argentine-Hungarian project entitled ?Development of catalytic processes for the agro-environmental protection and agro technology? (Grant No. T?T_15-1-2016-0089) financed by the National Research, Development and Innovation Office of Hungary. Further thanks is due to COST Action FP1306 (LIGNOVAL). Funding text 2: Acknowledgements The authors acknowledge the financial support of the project of the Economic Development and Innovation Operative Program of Hungary, GINOP-2.3.2-15-2016-00053: Development of liquid fuels having high hydrogen content in the molecule (contribution to sustainable mobility). The Project is supported by the European Union. Thanks are also due to the Indo-Hungarian project entitled “Biochemicals and biofuels from lignocellulosic biomass by Green catalytic processes” (Grant No. TÉT_15_IN-1-2016-0034) and the Argentine-Hungarian project entitled “Development of catalytic processes for the agro-environmental protection and agro technology” (Grant No. TÉT_15-1-2016-0089) financed by the National Research, Development and Innovation Office of Hungary. Further thanks is due to COST Action FP1306 (LIGNOVAL). LA - English DB - MTMT ER - TY - JOUR AU - Pavlovic, J. AU - Popova, M. AU - Rosenbergerné Mihályi, Magdolna AU - Mazaj, M. AU - Mali, G. AU - Kovač, J. AU - Lazarova, H. AU - Rajic, N. TI - Catalytic activity of SnO2- and SO4/SnO2-containing clinoptilolite in the esterification of levulinic acid JF - MICROPOROUS AND MESOPOROUS MATERIALS J2 - MICROPOR MESOPOR MAT VL - 279 PY - 2019 SP - 10 EP - 18 PG - 9 SN - 1387-1811 DO - 10.1016/j.micromeso.2018.12.009 UR - https://m2.mtmt.hu/api/publication/30348602 ID - 30348602 LA - English DB - MTMT ER - TY - JOUR AU - Pekkanen, TT AU - Timonen, RS AU - Lendvay, György AU - Rissanen, MP AU - Eskola, AJ TI - Kinetics and Thermochemistry of the Reaction of 3-Methylpropargyl Radical with Molecular Oxygen JF - PROCEEDINGS OF THE COMBUSTION INSTITUTE J2 - P COMBUST INST VL - 37 PY - 2019 IS - 1 SP - 299 EP - 306 PG - 8 SN - 1540-7489 DO - 10.1016/j.proci.2018.05.050 UR - https://m2.mtmt.hu/api/publication/3379368 ID - 3379368 N1 - in press. LA - English DB - MTMT ER - TY - JOUR AU - Rojas, M AU - Miskolczy, Zsombor AU - Biczók, László AU - Pavez, P TI - Effect of amino acid addition on the micelle formation of the surface-active ionic liquid 1-tetradecyl-3-methylimidazolium bromide in aqueous solution JF - JOURNAL OF PHYSICAL ORGANIC CHEMISTRY J2 - J PHYS ORG CHEM VL - 32 PY - 2019 SN - 0894-3230 DO - 10.1002/poc.3814 UR - https://m2.mtmt.hu/api/publication/3336503 ID - 3336503 N1 - Import hibák 2019-01-04 23:34 A besorolást az importban szereplő adat alapján nem lehetett meghatározni a következő elemhez: Article; Funding Agency and Grant Number: BIONANO GINOP [2.3.2-15-2016-00017]; CONICYT [21150339]; ICM-MINECON [RC-130006-CILIS]; FONDECYT [1170976] Funding text: BIONANO GINOP, Grant/Award Number: 2.3.2-15-2016-00017; CONICYT, Grant/Award Number: 21150339; ICM-MINECON, Grant/Award Number: RC-130006-CILIS; FONDECYT, Grant/Award Number: 1170976 AB - The effect of 3 amino acids on the self-assembly properties of the surface-active ionic liquid: 1-tetradecyl-3-methyl imidazolium bromide, [C14mim][Br], was studied in neutral and basic aqueous solution. The critical micelle concentrations were determined by different techniques, and the thermodynamic parameters of micellization (ΔG0 mic, ΔH0 mic, and ΔS0 mic) were measured by isothermal titration calorimetry. The critical micelle concentration values decrease in the presence of all the amino acids used in this study. The most substantial effect was observed in the presence of L-tryptophan at pH 12, due to the electrostatic and π-π interactions with the imidazolium headgroup of the surfactant. Always entropy-driven micellization occurred. Both the enthalpy and entropy changes upon association to micelles increased when the pH was enhanced from 7 to 12. 1H NMR measurements demonstrated that among the used amino acids, L-tryptophan interacts most strongly with the headgroup of the surfactant cation. The knowledge on the surfactant-amino acid interactions significantly contributes to the deeper understanding of the effect of surfactants on the properties of peptides. © 2018 John Wiley & Sons, Ltd. LA - English DB - MTMT ER - TY - JOUR AU - Lazarova, HI AU - Popova, MD AU - Szegedi, Ágnes AU - Likozar, B AU - Dasireddy, V AU - Novak-Tusar, N TI - Levulinic acid esterification on SO3H-modified mesoporous silicas JF - BULGARIAN CHEMICAL COMMUNICATIONS J2 - BULG CHEM COMMUN VL - 50 PY - 2018 SP - 56 EP - 60 PG - 5 SN - 0324-1130 UR - https://m2.mtmt.hu/api/publication/30384902 ID - 30384902 LA - English DB - MTMT ER - TY - JOUR AU - Nagy, Tibor AU - Vikár, Anna AU - Lendvay, György TI - A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations JF - PHYSICAL CHEMISTRY CHEMICAL PHYSICS J2 - PHYS CHEM CHEM PHYS VL - 20 PY - 2018 IS - 19 SP - 13224 EP - 13240 PG - 17 SN - 1463-9076 DO - 10.1039/c8cp01600c UR - https://m2.mtmt.hu/api/publication/27429691 ID - 27429691 N1 - cited By 0 AB - Dimension reduction by freezing the unimportant coordinates is widely used in intramolecular and reaction dynamics calculations when the solution of the accurate full-dimensional nuclear Schrödinger equation is not feasible. In this paper we report on a novel form of the exact classical internal- coordinate Hamiltonian for full and reduced-dimensional vibrational motion of polyatomic molecules with the purpose of using it in quasiclassical trajectory (QCT) calculations. The derivation is based on the internal to body-fixed frame transformation, as in the t-vector formalism, however it does not require the introduction of rotational variables to allow cancellation of non-physical rotations within the body-fixed frame. The formulas needed for QCT calculations: normal mode analysis and state sampling as well as for following the dynamics and normal-mode quantum number assignment at instantaneous states are presented. The procedure is demonstrated on the CH4, CD4, CH3D and CHD3 isotopologs of methane using three reduced-dimensional models, which were previously used in quantum reactive scattering studies of the CH4+X→CH3+HX type reactions. The reduced-dimensional QCT methodology formulated this way combined with full-dimensional QCT calculations makes possible the classical validation of reduced-dimensional models that are used in the quantum mechanical description of the nuclear dynamics in reactive systems [Vikár et al., J. Phys. Chem. A 120 (2016) 5083–5093.]. LA - English DB - MTMT ER - TY - JOUR AU - Turczel, Gábor AU - Kovács, Ervin AU - Csizmadia, E AU - Nagy, Tibor AU - Tóth, I AU - Tuba, Róbert TI - One-pot Synthesis of 1,3-butadiene and 1,6-hexanediol derivatives form cyclopentadiene (CPD) via tandem olefin metathesis reactions JF - CHEMCATCHEM J2 - CHEMCATCHEM VL - 10 PY - 2018 IS - 21 SP - 4870 EP - 4877 PG - 8 SN - 1867-3880 DO - 10.1002/cctc.201801088 UR - https://m2.mtmt.hu/api/publication/3411625 ID - 3411625 N1 - WoS:hiba:000449951500014 2020-08-26 07:12 első oldal nem egyezik AB - A novel tandem reaction of cyclopentadiene leading to high value linear chemicals via ruthenium catalyzed ring opening cross metathesis (ROCM), followed by cross metathesis (CM) is reported. The ROCM of cyclopentadiene (CPD) with ethylene using commercially available 2(nd) gen. Grubbs metathesis catalysts (1-G2) gives 1,3-butadiene (BD) and 1,4-pentadiene (2) (and 1,4-cyclohexadiene (3)) with reasonable yields (up to 24 % (BD) and 67 % (2+3) at 73 % CPD conversion) at 1-5 mol % catalyst loading in toluene solution (5 V% CPD, 10 bar, RT) in an equilibrium reaction. The ROCM of CPD with cis-butene diol diacetate (4) using 1.00 - 0.05 mol % of 3(rd) gen. Grubbs (1-G3) or 2(nd) gen. Hoveyda-Grubbs (1-HG2) catalysts loading gives hexa-2,4-diene-1,6-diyl diacetate (5), which is a precursor of 1,6-hexanediol (an intermediate in polyurethane, polyester and polyol synthesis) and hepta-2,5-diene-1,7-diyl diacetate (6) in good yield (up to 68 % or TON: 1180). Thus, convenient and selective synthetic procedures are revealed by ROCM of CPD with ethylene and 4 leading to BD and 1,6-hexanediol precursor, respectively, as key components of commercial intermediates of high-performance materials. LA - English DB - MTMT ER - TY - JOUR AU - Pápai, Mátyás Imre AU - Simmermacher, M AU - Penfold, TJ AU - Moller, KB AU - Rozgonyi, Tamás TI - How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations JF - JOURNAL OF CHEMICAL THEORY AND COMPUTATION J2 - J CHEM THEORY COMPUT VL - 14 PY - 2018 IS - 8 SP - 3967 EP - 3974 PG - 8 SN - 1549-9618 DO - 10.1021/acs.jctc.8b00135 UR - https://m2.mtmt.hu/api/publication/3409755 ID - 3409755 N1 - Export Date: 14 March 2024 CODEN: JCTCC LA - English DB - MTMT ER - TY - JOUR AU - Holló, András AU - Wollmann, A AU - Lónyi, Ferenc AU - Valyon, József AU - Hancsók, Jenő TI - Alternative Non-Food Based Diesel Fuels and Base Oils JF - INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH J2 - IND ENG CHEM RES VL - 57 PY - 2018 IS - 35 SP - 11843 EP - 11851 PG - 9 SN - 0888-5885 DO - 10.1021/acs.iecr.8b02295 UR - https://m2.mtmt.hu/api/publication/3409367 ID - 3409367 LA - English DB - MTMT ER -