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PL-4processes in order to evaluate the intrinsic kinetics. Sensitivity analysis leads to the crucialsteps in the mechanism, for which refined kinetic experiments and data may be needed.Recently, kinetic Monte-Carlo simulations (kMC) have been used to achieve a betterunderstanding of the interaction of adsorption, diffusion of adsorbed species, surfacereactions, and desorption on three-dimensional catalytic nano-particels. Those simulations arefed with parameters (activation energies, thermodynamics etc) derived from DFT simulationsof the species adsorbed on the individual particle crystal surfaces. Then, the reaction rates ofindividual steps can be derived from kMC as function of surface coverage, gas-phaseconcentration, and temperature. Based on those rates, rate equations in the concept of themean-field approximation (MF) can be derived, which then can be used in CFD simulations.3. Mathematical optimization of reactor designA newly developed optimization approach will be discussed that is in particular suitablefor better engineering of monolithic reactors with strong interaction between chemicalreactions on the catalytic surface and in the gas-phase, and mass and heat transport [4] . Asexample of such a system, the catalytic oxy-dehydrogenation of ethane to ethylene in aplatinum coated catalyst is chosen. The objectives of the optimization is the maximization ofthe product yield depending on inlet (temperature, species composition, mass flow) andoperating reactor conditions (wall temperature and catalyst loading along the channel).4. High-temperature catalysis in monolithic reactorsHigh-temperature catalysis is frequently carried out in monolithic structures. An efficientapproach, which still includes all fundamental aspects, can based on the combination ofsimulations of a representative number of channels with the simulation of the temperatureprofiles of the solid structure treating the latter one as continuum [5] . This approach is the basisfor the computer code DETCHEM MONOLITH , which has been applied to model the transientbehavior of catalytic monoliths. The code combines a transient three-dimensional simulationof a catalytic monolith with a 2D model of the single-channel flow field based on theboundary layer approximation. It uses detailed models for homogeneous gas-phase chemistry,heterogeneous surface chemistry, and contains a model for the description of pore diffusion inwashcoats. The application of the code for catalytic partial oxidation and reforming of naturalgas, higher alkanes, diesel surrogates, and alcohols to synthesis gas, olefins, and hydrogenwill be discussed and the results will be compared to experimentally derived data.5. High-temperature catalysis in Solid-Oxide Fuel CellsSeveral groups [3] applied the following approach for the analysis of temperature, speciesconcentrations, and current density profiles as well as the efficiency and power density of12
PL-4solid oxide fuel cell at direct internal reforming conditions: The heterogeneous chemistrymodel of the catalytic reactions in the anode structure uses a multi-step reaction mechanismfor the steam reforming of the fuel [6] . The porous media transport is modeled using the DustyGas Model, and electrochemistry is modeled using modified Butler-Volmer setting assuming.Coupling of those models will exemplarily be discussed for an anode-supported SOFCoperated with methane containing fuels and a Ni/YSZ anode structure.References[1] D.A. Hickman, L.D. Schmidt, Journal of Catalysis 1992, 138, 267.[2] M.C. Huff, L.D. Schmidt, Journal of Catalysis 1993, 149, 127.[3] H.Y. Zhu, R.J. Kee, V.M. Janardhanan, O. Deutschmann, D.G. Goodwin, Journal of the ElectrochemicalSociety 2005, 152, A2427.[4] H.D. Minh, H.G. Bock, S.Tischer, O. Deutschmann, AIChE J.2008, 54, 2432.[5] S. Tischer, O. Deutschmann, Catalysis Today 2005, 105, 407.[6] E.S. Hecht, G.K. Gupta, H.Y. Zhu, A.M. Dean, R.J. Kee, L. Maier, O. Deutschmann, Applied CatalysisA-General 2005, 295, 40.13
Page 1 and 2: Boreskov Institute of Catalysis of
Page 3 and 4: Mikhail G. Slinko,Honour ChairmanVa
Page 5 and 6: PLENARY LECTURES
Page 7: PL-1built up from an intrinsic cont
Page 10 and 11: PL-3DEVELOPMENT OF ZEOLITE-COATED M
Page 14 and 15: PL-5CATALYTIC PARTIAL OXIDATION OF
Page 16 and 17: KEY-NOTE PRESENTATIONS
Page 18 and 19: KN-2GETTING TO THE POINT: FROM MOLE
Page 20 and 21: KN-3PROBLEMS AND PROSPECTS FOR IMRO
Page 22 and 23: KN-4remain out of the sight of rese
Page 24 and 25: KN-5SSITKA allows to study not only
Page 26 and 27: KN-6individual reaction stages with
Page 28 and 29: Section 1.Kinetics of catalytic rea
Page 30 and 31: OP-I-1-specialthat Г s /f changed
Page 32 and 33: OP-I-3-specialKINETIC MODELING OF L
Page 34 and 35: OP-I-4PARTIAL OXIDATION OF TOLUENE
Page 36 and 37: OP-I-5Also, the approach to modelin
Page 38 and 39: OP-I-6starch granules, but after a
Page 40 and 41: OP-I-8KINETICS OF CARBON MONOXIDE O
Page 42 and 43: OP-I-9CHAOTIC DYNAMICS IN THE THREE
Page 44 and 45: OP-I-10ADSORPTION OF COMPLEX MOLECU
Page 46 and 47: OP-I-11KINETIC ASPECTS OF METHANE O
Page 48 and 49: OP-I-12KINETIC STUDIES IN STRUCTURE
Page 50 and 51: OP-I-13A STUDY ON THERMAL COMBUSTIO
Page 52 and 53: OP-I-14KINETICS OF THE CONVERSION O
Page 54 and 55: OP-I-15HYDROCRACKING OF LONG CHAIN
Page 56 and 57: OP-I-16KINETICS IN THE HYDROGENATIO
Page 58 and 59: OP-I-17MECHANISM OF FORMATION OF ET
Page 60 and 61: OP-I-18KINETIC STUDIES OF PROPANE D
Page 62 and 63:
OP-I-19ACTIVITY AND DEACTIVATION OF
Page 64 and 65:
OP-I-20GAS PHASE OXIDATION OF FORMA
Page 66 and 67:
OP-I-21Where k A is the rate consta
Page 68 and 69:
OP-I-22al., 2008; Monolith, 2008).
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OP-I-23Fig. 1. Scheme of the FIM ma
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OP-I-24Θ DZ centersdeactivationr D
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OP-I-25equation [2] to nitrogen iso
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OP-II-1CHEMICAL NANOREACTORS AS BAS
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OP-II-2gas model use, there is no n
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OP-II-3Taking into account these pr
Page 82 and 83:
OP-II-4WATER2METH1STEAM2AOFF3AIR10O
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OP-II-5completely dry, at the same
Page 86 and 87:
OP-II-6Many factors have been found
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OP-II-7mechanistic and kinetic stud
Page 90 and 91:
OP-II-9MODELLING OF DIESEL PARTICUL
Page 92 and 93:
Section 3.Catalytic processesí dev
Page 94 and 95:
OP-III-1BIC’s catalyst for N 2 О
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OP-III-2powder sample with the same
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OP-III-3Analysis of the results sho
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OP-III-4Exhaustaftertreatmenttechno
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OP-III-6SOME PROPERTIES OF PEROVSKI
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OP-III-7with the conventional react
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OP-III-8resistance is the membrane
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OP-III-9mass dispersion and to anal
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OP-III-11PROCESS INTENSIFICATION US
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OP-III-12ETHYL ACETATE SYNTHESIS BY
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OP-III-12products are vaporized and
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OP-III-13The reforming reaction was
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OP-III-14reactivity (compared to ot
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OP-III-15Fig. 2. The spent Smopex-1
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OP-III-16Numbers of curves are acco
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OP-III-17perimeter were determined.
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OP-III-18of 2. MSR has been coupled
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OP-III-19chemisorption heat and pro
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OP-III-20In the experiments, total
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OP-III-21obtained by the new techno
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OP-III-22reactor wall from the two-
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OP-III-23and parameters of synthesi
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OP-III-24Results and discussionThe
Page 140 and 141:
OP-IV-1DEEP DESULPHURIZATION OF PET
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OP-IV-2LACTIC ACID AS A BACKGROUND
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OP-IV-3CO REMOVAL FROM H 2 -rich GA
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OP-IV-4REFORMING OF ETHANOL OVER ME
Page 148 and 149:
OP-IV-5MODELING OF HYDROGEN PRODUCT
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OP-IV-6PRODUCTION OF HYDROGEN FROM
Page 152 and 153:
OP-IV-7SYNTHESIS GAS PRODUCTION FRO
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OP-IV-8HYDROGEN PRODUCTION FROM MET
Page 156 and 157:
OP-IV-9A NEW GENERATION OF SUPER-TH
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OP-IV-10EXERGY ANALYSIS OF ENZYMATI
Page 160 and 161:
OP-IV-11ADVANCEMENT OF SLURRY BUBBL
Page 162 and 163:
OP-IV-12Pd-DOPED PEROVSKITE CATALYS
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OP-IV-13HYDROGEN PRODUCTION VIA MET
Page 166 and 167:
Section 5.Catalytic processing of r
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OP-V-1Scheme 1. The developing path
Page 170 and 171:
OP-V-2An example of the model compo
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OP-V-3catalysts were shown to be su
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OP-V-4Catalyst deactivation was mor
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OP-V-53) Study of the FFAs esterifi
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OP-V-6In the present work, a compre
Page 180 and 181:
OP-V-7Ca 2 Fe 2 O 5 , MgFe 2 O 4 an
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OP-V-8cellulose components decompos
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OP-V-9sintering a couple of spirale
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OP-V-10Catalyst preparationA series
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OP-V-11Catalysts characterizationIn
Page 190 and 191:
OP-V-12Kinetic ExperimentsHexadecan
Page 192 and 193:
OP-V-13DESIGN OF PILOT REACTOR AND
Page 194 and 195:
OP-V-14DEVELOPMENT OF A LAB SCALE C
Page 196 and 197:
OP-V-15DEVELOPMENT OF TWO-STAGE PRO
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OP-V-15The data of Table 2 show, th
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OP-V-17ENERGY PRODUCTION FROM BIOMA
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OP-V-18CATALYTIC PARTIAL OXIDATION
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OP-V-19A PHOTOCATALYTIC REACTOR FOR
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OP-V-20BIOMASS GASIFICATION IN A CA
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OP-V-21ESTIMATION OF OPTIMAL REACTO
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POSTER PRESENTATIONSSection 1. Kine
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PP-I-1CONVERSION OF ETHANOL OVER CO
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PP-I-2LATERAL INTERACTIONS, FINITE
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PP-I-3UTILIZATION OF TAFT EQUATION:
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PP-I-4SELECTIVE HYDROGENATION OF CI
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PP-I-5NON OXIDATIVE REGENERATION ME
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PP-I-6Table 1. Parameters in kineti
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PP-I-7where: k nc , k 1 , k a , k b
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PP-I-8After each adsorption or deso
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PP-I-9The increase in pressure, in
Page 230 and 231:
PP-I-10The analysis of the composit
Page 232 and 233:
PP-I-11The network of βP oxidation
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PP-I-12order of magnitude lower. Th
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PP-I-13ab1,01,0Isotope fraction0,5[
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PP-I-14Relations ‘rate vs alcohol
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PP-I-15[EEAA] t , M[EEAA] t -1 , M
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PP-I-17NEW OSCILLATING REACTION:CAR
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PP-I-18NEW OSCILLATING REACTIONS OF
Page 246 and 247:
PP-I-19KINETICS OF GAS-LIQUID PROCE
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PP-I-20COMPLETE OXIDATION OF HARMFU
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PP-I-21THEORETICAL RESEARCH OF SURF
Page 252 and 253:
PP-I-22INFLUENCE OF ORGANIC HELATES
Page 254 and 255:
PP-I-23The equation of the reaction
Page 256 and 257:
PP-I-25SELECTIVE OXIDATION OF METHA
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PP-I-26coefficients of the equation
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PP-I-27into propionic acid. The giv
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PP-I-28In the studied range of temp
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PP-I-29Table. Reaction temperature
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PP-I-30other in both direction of t
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PP-I-31Reynolds number. The boundar
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PP-I-32NANOPARTICLES AND CATALYSISI
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Section 2.Physico-chemical and math
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PP-II-1For investigation, we used n
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PP-II-2criterion «Zn dissolved in
Page 278 and 279:
PP-II-3exist around the steady stat
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PP-II-4in range 0-1. In our case n
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PP-II-5at comparable activity, the
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PP-II-7CFD-CALCULATION OF MALDISTRI
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PP-II-8INVESTIGATION OF NONLINEAR P
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PP-II-8reactivity. There is a small
Page 290 and 291:
PP-II-10CALCULATION OF INDUSTRIAL C
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PP-II-11type of reactors a catalyst
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PP-II-13MATHEMATTICAL MODELLING OF
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PP-II-13where I Э , M 1Э , M 2Э
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PP-II-14where TOC 0 is the initial
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PP-II-16AUTOCATALYTIC REACTION FRON
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Section 3.Catalytic processesí dev
Page 304 and 305:
PP-III-1for the traditional scheme
Page 306 and 307:
PP-III-2Initial conditions: С i (0
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PP-III-3Afterward, a 30% aqueous hy
Page 310 and 311:
PP-III-4The influence of the water
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PP-III-5Vanadium oxide was grafted
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PP-III-6(T p ) was taken as an inde
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PP-III-7dCdτLABdCNABdτdCdτdCdτd
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PP-III-8O 2 , balanced by He, at a
Page 320 and 321:
PP-III-9Solution of system (3) for
Page 322 and 323:
PP-III-10HDT330ºCHDT350ºCHDT370º
Page 324 and 325:
PP-III-11The activity of Au/support
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PP-III-1249775 m 3 /h0,65Initial te
Page 328 and 329:
PP-III-13through one layer of ACC w
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PP-III-14the runs was always higher
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PP-III-15The experimental data for
Page 334 and 335:
PP-III-16Catalytic hydrogenation of
Page 336 and 337:
PP-III-17The following parameters a
Page 338 and 339:
PP-III-18Figure 1 - Dependence of t
Page 340 and 341:
PP-III-19Our method has some advant
Page 342 and 343:
PP-III-20Furthermore, Ayude et al.
Page 344 and 345:
PP-III-22OPTIMIZATION OF THE METHAN
Page 346 and 347:
PP-III-23EXPERIMENTAL INVESTIGATION
Page 348 and 349:
PP-III-24CATALYTIC REACTORS WITH HY
Page 350 and 351:
PP-III-25ACTIVITY OF Cu/ZSM-5 CATAL
Page 352 and 353:
PP-III-26SIMULATION AND OPTIMISATIO
Page 354 and 355:
PP-III-27model of plug flow reactor
Page 356 and 357:
PP-III-28Calculations were experime
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PP-III-29continuous and pressurized
Page 360 and 361:
PP-III-30adequacy of multistage mod
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PP-III-31+CH 3 OHH 2 O + HO-(CH(CH
Page 364 and 365:
PP-III-32procedure presented by Mar
Page 366 and 367:
PP-III-33HPA-x + 2 H + + Pd 0 ⎯
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PP-III-34of the process as well as
Page 370 and 371:
PP-III-35This study was financially
Page 372 and 373:
PP-III-36phase. Peroxopolyoxometall
Page 374 and 375:
PP-III-37performed under atmospheri
Page 376 and 377:
PP-III-38orders of magnitude larger
Page 378 and 379:
PP-III-39CATALYTIC REACTORS WITH ST
Page 380 and 381:
PP-III-40THE OXIDATIVE DEHYDROGENAT
Page 382 and 383:
PP-III-41MODELLING AND DESIGN OF TH
Page 384 and 385:
PP-III-42COMPLEX TECHNOLOGY OF TREA
Page 386 and 387:
PP-III-43PHOTO ELECTROCHEMISTRY APP
Page 388 and 389:
PP-III-45MODELING OF CATALYTIC α-O
Page 390 and 391:
PP-III-46steady states. It was show
Page 392 and 393:
PP-III-47Results and discussion:The
Page 394 and 395:
PP-III-49FIBROUS PALLADIUM-SUPPORTE
Page 396 and 397:
Section 4.Catalytic technologies in
Page 398 and 399:
PP-IV-1method is adiabatic or autot
Page 400 and 401:
PP-IV-2It had been established that
Page 402 and 403:
PP-IV-4INTERACTION OF ACTIVATED ALU
Page 404 and 405:
PP-IV-5ENVIRONMENTALLY FRIENDLY PRO
Page 406 and 407:
PP-IV-6THE 5%Ni-2%Au/Al 3 CrO 6 SYS
Page 408 and 409:
PP-IV-7MESOPOROUS ANODES BASED ON Y
Page 410 and 411:
PP-IV-8ADVANCED OXIDATION PROCESS F
Page 412 and 413:
PP-IV-9PROCESSING OF POLYMERIC CORD
Page 414 and 415:
PP-IV-10EFFECT OF SULPHUR ON THE CA
Page 416 and 417:
PP-IV-11OXIDATIVE CONVERSION OF MET
Page 418 and 419:
PP-IV-13CATALYTIC FLUE GAS CONDITIO
Page 420 and 421:
PP-IV-14RIBBON POROUS NICKEL BASED
Page 422 and 423:
PP-IV-15ETHANOL CONVERSION TO HYDRO
Page 424 and 425:
PP-IV-16A HIGH-EFFICIENT MICROREACT
Page 426 and 427:
PP-IV-17DIRECT DECOMPOSITION OF NIT
Page 428 and 429:
PP-IV-18NICKEL CATALYSTS BASED ON P
Page 430 and 431:
PP-IV-19SELECTION OF FAVOURABLE FEE
Page 432 and 433:
PP-IV-20FORMALDEHYDE FORMATION DURI
Page 434 and 435:
PP-IV-21PRODUCTION OF HYDROGEN-RICH
Page 436 and 437:
PP-IV-22INFLUENCE OF COMPOSITION OF
Page 438 and 439:
PP-IV-24ONE-STAGE CATALYTIC CONVERS
Page 440 and 441:
PP-IV-25THE STUDY OF METHANE DEHYDR
Page 442 and 443:
PP-IV-26MCM-41-SUPPORTED PdNi CATAL
Page 444 and 445:
PP-IV-27IMPROVING THE FLOW SHEET OF
Page 446 and 447:
PP-IV-29THE PARTIAL OXIDATION OF CH
Page 448 and 449:
PP-IV-30PRODUCTION OF CO-FREE HYDRO
Page 450 and 451:
PP-IV-31PHOTOCATALYTICAL ACTIVITY O
Page 452 and 453:
PP-IV-32NEW ELECTRODE MATERIALSFOR
Page 454 and 455:
PP-IV-33THE CATALYTIC HYDROGENATION
Page 456 and 457:
PP-IV-34W 0, μmol O 2/min0,25 1. 1
Page 458 and 459:
PP-V-1INFLUENCE OF ICE ON MEAs OF P
Page 460 and 461:
PP-V-2DIRECT OILS HYDROGENATION TO
Page 462 and 463:
PP-V-3DEVELOPMENT OF Pd/SIBUNIT CAT
Page 464 and 465:
PP-V-4Pt NANOPARTICLE-HOLLOW POROUS
Page 466 and 467:
PP-V-5THE PROCESS FOR PRODUCING ORG
Page 468 and 469:
PP-V-6water removing. This method p
Page 470 and 471:
PP-V-7ResultsThe presented technolo
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PP-V-8the most effective catalysts.
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PP-V-9Neither the low sulphur conte
Page 476 and 477:
PP-V-10composition (methyl esters,
Page 478 and 479:
PP-V-11reactor we can see that its
Page 480 and 481:
PP-V-12Recent studies lead in this
Page 482 and 483:
PP-V-13catalysts (e.g. Pt or Pd), t
Page 484 and 485:
PP-V-14Alkali catalyst. For a basic
Page 486 and 487:
PP-V-15obtaining the related profil
Page 488 and 489:
PP-V-16reaction parameters, not rep
Page 490 and 491:
PP-V-18STUDY OF THE CATALYTIC ACTIV
Page 492 and 493:
PP-V-19BIOMORPHIC CATALYSTS ON THE
Page 494 and 495:
PP-V-20Al,Cu-PILLARED CLAYS AS CATA
Page 496 and 497:
PP-V-21KINETICS OF THE HYDROXYMATAI
Page 498 and 499:
PP-V-22THE NEW METHOD OF OBTAINING
Page 500 and 501:
PP-V-23containing mono- and di-subs
Page 502 and 503:
AUTOCLAVE ENGINEERS COMPANYSYSTEMAT
Page 504 and 505:
CATACON CATACON CATACON CATACON CAT
Page 506 and 507:
Page 508 and 509:
Page 510 and 511:
George AvgouropoulosFoundation for
Page 512 and 513:
Leonid BykovJSC «Chemphyst-Alloy L
Page 514 and 515:
Debora FinoPolitecnico di TorinoCor
Page 516 and 517:
Jenő HancsókUniversity of Pannoni
Page 518 and 519:
Andrey KhudoshinLomonosov Moscow St
Page 520 and 521:
Cristian LedesmaEnergetic Technique
Page 522 and 523:
Uri Matatov-MeytalDepartment of Che
Page 524 and 525:
Karina OjedaIndustrial University o
Page 526 and 527:
Yuri PyatnitskyPisarzhevsky Institu
Page 528 and 529:
Vera ScmachkovaBoreskov Institute o
Page 530 and 531:
Peter StrizhakPisarzhevsky Institut
Page 532 and 533:
Nadezhda VernikovskayaBoreskov Inst
Page 534 and 535:
Nataliya ZubritskayaRSC «Applied C
Page 536 and 537:
ORAL PRESENTATIONS.................
Page 538 and 539:
OP-I-21Saeedizad M., Sahebdelfar S.
Page 540 and 541:
OP-III-9Nekhamkina O., Sheintuch M.
Page 542 and 543:
OP-IV-5Hernández L., Kafarov V.V.M
Page 544 and 545:
OP-V-13Sadykov V., Mezentseva N., V
Page 546 and 547:
PP-I-15PP-I-16PP-I-17PP-I-18PP-I-19
Page 548 and 549:
PP-II-9 Nikiforov A., Paek U-Hyon,
Page 550 and 551:
PP-III-17 Vernikovskaya N.V., Kashk
Page 552 and 553:
PP-III-42 Goshu Y.W., Tsaryov Y.V.,
Page 554 and 555:
PP-IV-17 Ohnishi C.H., Yoshino H.,
Page 556 and 557:
PP-V-9 Hancsók J., Magyar S., Kall
Page 558:
XVIII International Conference on C
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