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PP-I-58THE KINETIC MODEL OF CYCLOALUMINATION REACTIONWITH OLEFINS AND ACETYLENESTikhonova M.V., Kadikova R.N., Ramazanov I.R., Gubaydullin I.M.,Lavrenteva J.S., Spivak S.I., Dzhemilev U.M.Institute of Petrochemistry and Catalysis, Russian Academy of Sciences,141, prospect Oktyabrya, Ufa, 450075, Russian Federation, tiny_daisy@mail.ruThe purpose of work is the identification of the mechanism kinetic parameters ofthe cycloalumination (CA) reaction of olefins and acetylenes olefins in the presenceof a catalyst Cp 2 Zr 2 Cl 2 .It was shown in the paper that using of mathematical modeling methods withparallel programming technologies is effective for studies of reaction mechanisms ofmetal complex catalysis [1].The study had several stages: conducting chemical experiments, developing amathematical description of the CA reaction, designing and implementation ofrelational database system of kinetic studies of the CA reaction and conducting asequential and parallel calculation using graphics processing unit (GPU).A comparative analysis of experimental and calculated data was done on thereactivity of olefinic and acetylenic compounds in the CA reaction.Temperature varied in the range from 0 to 50°, the initial catalyst concentrationranged from 0.02 to 0.06M, Et 3 Al ranged from 0.2 to 1,0M. The relative error betweenthe experimental and calculated concentration values of the CA reaction products isno more than 7%.The found activation energy values and obtained dependence of stage rates onthe reaction time showed that relative reactivity decreases for olefins in the series:Octene-1 > α-allylnaphthalene > Styrene > Allylbenzol > Norbornene >>Trimetivinylsilane, and acetylenes in the series: Octyne-1 > Phenylacetylen >>Octyne-4 > Butyl(trimethyl)acetylene > Octyl(trimetilsilin)acetylene.322
PP-I-58HeadingsAdvances in Chemical Reactors Fundamentals- Chemical Reactors KineticsReferences:[1]. The Mechanism of Cp 2 ZrCl 2 -Catalyzed Alkene Cycloalumination with Triethylaluminum to GiveAlumacyclopentanes. Balaev A.V., Parfenova L.V., Gubaidullin I.M., Rusakov S.V., Spivak S.I.,Khalilov L.M., Dzhemilev U. M. J. Doklady Physical Chemistry, 2004, p. 279-282.[2]. The theory and practice of parallel computing. Binomial. Knowledge Lab. Gergel V.P., 2007323
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Boreskov Institute of Catalysisof t
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INTERNATIONAL SCIENTIFIC COMMITTEEV
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SILVER SPONSORThe organizers expres
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PL-1HOW TO DESIGN OPTIMAL CATALYTIC
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MULTIFUNCTIONAL DEVICES FOR INTENSI
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PL-3DESIGN OF CATALYTIC PROCESSES F
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PL-3Indeed preparation and testing
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PL-4The second part of the lecture
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PL-5Reactor designs with intensifie
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PL-6MEMBRANE REACTORS: STATE OF THE
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KEY-NOTE PRESENTATIONS
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KN-1description, that can be charac
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KN-2selective catalytic reduction o
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KN-3Fig. 1. Experimental burner of
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KN-4~200°C. This is based on the H
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KN-5for addressing the quality of t
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KN-6reaction with ethanol and the b
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KN-7at temperature lower than 873K,
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REACTION KINETICS AND REACTION ENHA
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OP-I-2RELATION BETWEEN THE ACTIVATI
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COMPARISON OF CHEMICAL AND ENZYMATI
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OP-I-4NONLINEAR PHENOMENA DURING ME
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OP-I-5SPECIFICITY OF THE OSCILLATIO
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OP-I-6TRENDS IN BISTABILITY DOMAINS
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OP-I-7NON-STEADY-STATE CATALYST CHA
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OP-I-8TRANSIENT KINETIC STUDIES OF
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OP-I-9A REDOX KINETICS FOR THE PART
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OP-I-9500Flow of Air = 0.3 m 3 (STP
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OP-I-11ELUCIDATION OF THE REACTIVIT
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KINETIC MODELLING OF THE JOINT TRAN
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OP-I-13n-HEXANE SKELETAL ISOMERIZAT
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OP-I-14the slow branch of kinetic c
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OP-I-15The hydride palladium comple
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Energy Conservation (field j)∂∂
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OP-I-17Selectivity (mol. %)10099989
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OP-I-18According to GLC the main pr
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OP-I-19and slug dimensions, formati
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OP-I-20A RANS volume of fluids [1]
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OP-I-21the physical-chemical charac
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OP-I-22calculated values of pressur
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OP-I-23where L c - capillary length
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OP-I-24and diffuse transmission thr
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OP-I-25effect of bubble break-up wo
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OP-I-26strong influence on the soli
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OP-I-27wHCOOH=1+K2K1(1 + K3⋅ P⋅
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OP-I-28dimensional profiles detecte
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OP-I-29results. The results of the
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OP-I-30Fig. 1. Hydrodynamics and co
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OP-I-31Convection and diffusion wit
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TEMPERATURE RISE DURING REGENERATIO
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OP-II-2[4]. Similar temperature pro
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OP-II-3(Fig, 1 a, b) upon testing i
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OP-II-4In the second step optimizat
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OP-II-5membrane contactors were stu
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OP-II-6reaction over Cu/CeO 2-x cat
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OP-II-7is modelled by means of a tw
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OP-II-8the reactor [6]. However, th
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OP-II-9Figure 1. Computed volume fr
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OP-II-10assumes variables’ distri
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OP-II-11oxide support, it comes tha
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OP-II-12was connected to G.C. via s
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OP-II-13catalyst bed was 6 mm. Thre
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OP-II-14as coolant is an important
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OP-II-15Flow (L/h)7654321Bottoms ra
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OP-II-16(4) The gas recirculation r
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OP-II-17Catalytic reactions were ca
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OP-II-18At steady surface coverage
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OP-II-19gaimpulsegeneratorwateFig.
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OP-II-20examined (see Figure 1). Th
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OP-II-21References[1]. M.P. Dudukov
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OP-II-22of the hydrogen oxidation a
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OP-II-23TemperaturesensorsThe efflu
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OP-II-24of reactant conversions. Pa
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OP-II-25(surface) ‘wall-reaction
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OP-II-26It was found that the 10 wt
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OP-II-27non-flow type. During the M
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OP-III-A-1A NEW SIMPLE MICROCHANNEL
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BUBBLING FLUIDISED BED PYROLYSIS OF
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PINEWOOD PYROLYSIS UNDER VACUUM CON
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OP-III-A-5PYROLYSIS OF HDPE IN A CO
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OP-III-A-6REACTORS FOR THE GREEN TR
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DEHYDRATION OF GLYCEROL TO ACROLEIN
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OP-III-A-8LACTIC ACID BASED ON BIO
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RECOVERY OF ACETIC ACID FROM PYROLY
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OP-III-A-10LIPASE-CATALYZED REACTIO
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OP-III-A-11INVESTIGATION ON THERMOC
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OP-III-A-12SELECTIVE CATALYTIC DEOX
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ETHANOL STEAM REFORMING OVER COBALT
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OP-III-A-14HYDROTREATMENT CATALYSTS
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ORAL PRESENTATIONSSECTION IIIChemic
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OP-III-B-1Reactor parameters:Intern
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OP-III-B-2JOINT STEAM REFORMING OF
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OP-III-B-3LANDFILL BIOGAS PURIFICAT
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OP-III-B-4MODELING AND SIMULATION O
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OP-III-B-5DemonstratorThe medium-te
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OP-III-B-630/19.6 Nl/min (space vel
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OP-III-B-7mixed in the ratios: 94,8
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OP-III-B-8Table 1.Material balance
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OP-III-B-9Based on the results of t
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OP-III-B-10On this basis it can be
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OP-III-B-11Similar trends caused by
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OP-III-B-12(mol/s g cat)x108r4,6-DM
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OP-III-B-13carbon in Wyoming coal i
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OP-III-B-14MODELING PRODUCT DISTRIB
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OP-III-B-15COMBINED TECHNOLOGY OF U
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MATEMATICAL MODEL FOR DOWNDRAFT BIO
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OP-III-B-17CATALYTIC DEHYDRATION OF
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OP-III-B-18SYNGAS AND HYDROGEN PROD
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POSTER PRESENTATIONSSECTION I
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PP-I-1influence of the direction of
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PP-I-2At the agitation of the liqui
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PP-I-3NOLINEAR PHENOMENA IN CATALYT
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PP-I-4A NEW APPROACH TO KINETIC STU
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PP-I-5KINETICS OF PROX REACTION OVE
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PP-I-6PHENOMENA OF SUPERADIABATIC T
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ELECTROMAGNETIC REACTOR OF WATER TR
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PP-I-8DIRECT SYNTHESIS OF HYDROGEN
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PP-I-9DYNAMICS OF FIRST-ORDER PHASE
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PP-I-10ELECTROCHEMICAL OXIDATION OF
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PP-I-11CHEMPAK SOFTWARE PACKAGE: OP
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PP-I-12COMPUTER SIMULATION OF ENDOT
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PP-I-13MODELLING KINETICS OF PROCES
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PP-I-14THE INVESTIGATION OF REACTIO
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PP-I-15The qualitative picture of s
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Thus, knowing the composition of ra
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PP-I-17current density. Preliminary
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PP-I-18Hydrogenation kinetics was d
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PP-I-19the active mixing, amplitude
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PP-I-20where r, h indicate the radi
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PP-I-21model is very anisotropic be
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PP-I-22- Reduction of the number of
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PP-I-23oscillations of intermediate
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PP-I-25SYNTHESIS OF ETHYLENE OXIDE
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PP-I-26OPTIMUM KINETICS FOR POLYSTY
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PP-I-27TableSpecific surface area (
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Page 273 and 274: PP-I-29commercial CFD solver FLUENT
Page 275 and 276: PP-I-30modulus, a considerable decr
Page 277 and 278: PP-I-31The destruction ways of CF 3
Page 279 and 280: PP-I-32[7]. Karoor S, Sirkar K. Gas
Page 281 and 282: PP-I-33above 750°. The catalytic p
Page 283 and 284: PP-I-35REVERSE FLOW REACTOR WITH FO
Page 285 and 286: FLOW-RECIRCULATION METHOD FOR INVES
Page 287 and 288: TO A PROBLEM OF OPTIMIZATION OF FUN
Page 289 and 290: PP-I-38THE INFLUENCE OF REACTION MI
Page 291 and 292: PP-I-39METHANOL OXIDATIVE STEAM REF
Page 293 and 294: PP-I-41CORRECT INVESTIGATION OF THE
Page 295 and 296: PP-I-42NEW APPROACH OF DEFINITION O
Page 297 and 298: PP-I-43STREAM HEAT EXCHANGE OF AERO
Page 299 and 300: PP-I-44HIGH TEMPERATURE OXYGEN TRAN
Page 301 and 302: PP-I-45KINETICS OF TRANSESTERIFICAT
Page 303 and 304: MATHEMATICAL MODELING AND OPTIMIZAT
Page 305 and 306: PP-I-47The basic side reaction is r
Page 307 and 308: PP-I-49EXPERIMENTAL STUDY OF THE HA
Page 309 and 310: PP-I-51ON THE KINETICS AND REGULARI
Page 311 and 312: PP-I-52DIFFERENTIAL THERMAL ANALYSI
Page 313 and 314: PP-I-53oxidation reaction demonstra
Page 315 and 316: PP-I-54of reaction. It is establish
Page 317 and 318: PP-I-55effects, are energetically c
Page 319 and 320: PP-I-56The experiments and simulati
Page 321: PP-I-57In the studied range of temp
Page 325 and 326: PP-I-59calculated. During the aroma
Page 327 and 328: PP-I-60with honeycomb catalyst) act
Page 329 and 330: Т - temperature, K, D eff - effect
Page 331 and 332: PP-I-62stirring rate were adopted u
Page 333 and 334: PP-I-63m 2 = (k 1 y 0 1 +k -1 +k 1
Page 335 and 336: POSTER PRESENTATIONSSECTION II
Page 337 and 338: PP-II-1values of operating paramete
Page 339 and 340: ⎡⎛⎢⎜bF⎣⎝=2ab ⎞ 6+ ⎟
Page 341 and 342: PP-II-4HONEYCOMB MONOLITHIC CATALYS
Page 343 and 344: MATHEMATICAL MODELING OF THE ALUMIN
Page 345 and 346: PP-II-6MODELING OF VINYL ACETATE SY
Page 347 and 348: PP-II-7СENTRIFUGAL DISK REACTORAvv
Page 349 and 350: PP-II-83) An opportunity of operati
Page 351 and 352: PP-II-10UV-ACTIVATION OF METHANE CO
Page 353 and 354: PP-II-11COMBINED APPROACH (FMEA- HA
Page 355 and 356: PP-II-12Testing the pilot variant o
Page 357 and 358: PP-II-14NOVEL MICROREACTOR FOR THE
Page 359 and 360: PP-II-15of 1-2.5 lead to a decreasi
Page 361 and 362: PP-II-16stages. Kinetic parameters
Page 363 and 364: PP-II-17whiskers, which assure an a
Page 365 and 366: PP-II-18с m , с cat - density of
Page 367 and 368: PP-II-19decrease. So, the potential
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Page 371 and 372: PP-II-21A numerical algorithm and s
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PP-II-22motions at any external con
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PP-II-23One of the main technologic
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PP-II-24100 m x 250 μm x 0.5 μm,
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PP-II-25A model was developed to ca
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PP-II-26The results of calculations
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PP-II-27modes of reaction and two d
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PP-II-29OZONE-DESTRUCTION REACTOR B
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PP-II-30Fig. 1. Axial profile of me
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PP-II-31isobutylene in butene fract
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PP-II-322.5x10 -3 ( i )2.5x10 -3 (
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PP-II-33No olefinreadsorptionWith o
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PP-II-34using titania or Ag-doped t
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PP-II-35accidents, is condition dep
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PP-II-36be seen that at temperature
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PP-II-37the solid phase solute conc
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PP-II-38As shown in Table 1, the ca
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PP-II-39better to the obtained in t
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PP-II-40Hydrodynamic regime in the
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PP-II-41activity, relative unit1,21
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PP-II-42One of the major indicators
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PP-II-43These conditions are confor
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PP-II-44For the hepten, alpha-methy
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PP-II-46PARTIAL OXIDATION OF METHAN
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PP-II-47DEVELOPMENT OF VORTEX APPAR
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MODELING OF CFTALYTIC α-OLEFINS OL
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PP-II-49Hinselwood kinetic equation
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3) iterate concentrations at a cut
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PP-II-51data such flow sheet provid
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PP-II-53ON THE TECNOLOGY OF TECHNIC
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PP-II-54PROPYLENE POLYMERIZATION AN
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REACTOR FOR LIQUID-PHASE PROCESSES
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PP-II-56MODELING OF CATALYTIC MICRO
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PP-II-57MATHEMATICAL MODELING OF BE
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PP-II-58HONEYCOMB CATALYSTS WITH PO
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POSTER PRESENTATIONSSECTION IIISECT
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ReferencesPP-III-1[1]. A.N. Pestrya
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PP-III-2Table1. Percentages of diff
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PP-III-3conversion for the reaction
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PP-III-4900Reformer temperature (K)
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PP-III-5Catalytic performance of th
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PP-III-6optimization permit better
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PP-III-8DE-NO X SYSTEM BASED ON H 2
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PP-III-9SEPARATION BETWEEN CHLORIDE
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CONVERSION OF WASTE COTTON TO BIOET
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PP-III-12THE METHOD OF GLYCERIC ACI
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NOx conversion vs. temperature is p
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PP-III-14intermetallic diffusion at
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PP-III-15The conversion of O 2 was
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PP-III-16H 2consumpition (a.u)(a)39
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PP-III-17the characteristic structu
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PP-III-18Figure 1. Influence of tem
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PP-III-19(a)(b)CH 4conversion, %100
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PP-III-20take into account own size
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PP-III-2110080CS-18CS-34CHZ30CHZ801
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EXPERIMENTALPP-III-22We synthesized
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PP-III-23Base composition component
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PP-III-25CO REMOVAL AT THE MICROSCA
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HYDROGEN PRODUCTION FROM METHANOL U
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PP-III-27NON CATALITIC PRODUCTION O
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PP-III-28Different reaction conditi
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PP-III-29followed by WGS reaction.
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PP-III-30As a solvent-coreactants w
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PP-III-31It was concluded that on t
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PP-III-32Hydrogenolysis of glycerol
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PP-III-331,6W 0, μmol Н 2/min1,20
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PP-III-34preparation (glass fiber f
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PP-III-35In the modification proces
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PP-III-36The kinetics of acid hydro
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PP-III-37reaction: i) C=O double bo
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PP-III-38methane and carbon monoxid
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PP-III-39from 25 to 60, which was d
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PP-III-401% w/w for Pd with respect
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PP-III-41material. Besides, the mol
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PP-III-43METHANOL AND DIMETHYL ETHE
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PP-III-44goal is attained by using
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OLIGOMERISATION OF TERTIARY AMINE L
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PP-III-47meter (Shimazu Co.; TOC-50
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PP-III-48the range of 29-87 kJ/mol
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PP-III-49determine the optimal type
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PP-III-50NEW CONCEPT FOR A SELF CLE
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PP-III-51HYDROGEN PRODUCTION BY MET
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PP-III-52CATALYTIC UPGRADING OF PRO
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PP-III-53CATALYTIC CONVERSION OF FI
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PROCESS FOR THE PRODUCTION OF BUTYL
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PP-III-55been previously fixed and
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PP-III-56The influence of reaction
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PP-III-57sample does not contain so
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PP-III-58The re-activation of the e
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PP-III-59The aim of this work is th
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PP-III-61BIODIESEL FROM MICROALGAE
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DEVELOPING MICROFLUIDIC DEVICE WITH
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THREE-PHASE DIRECT OILS HYDROGENATI
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Co-BASED CATALYSTS FOR THE HYDROLYS
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PP-III-65KINETIC STUDY OF THE CATAL
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PP-III-66PRODUCTION OF HYDROGEN AND
Page 563 and 564:
PP-III-67ENHANCED GASIFICATION OF P
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PP-III-68INFLUENCE OF SPILLOVER ON
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PP-III-69AEROBIC OXIDATIVE COUPLING
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PP-III-70MECHANISMS FOR CHEMICAL RE
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PP-III-70SBS molecules and increase
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PP-III-71and as a resut, could enha
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PP-III-72conversion). Al 2 O 3 /PSS
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PP-III-73SBA50TiSBA% Transmittance5
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PP-III-74stove heating. Another par
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PP-III-75TG [%]0-10-20-30380°C400
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PP-III-76The elementary version of
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PP-III-77thermodynamically enhanced
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PP-III-78GFC textileStructuringmeta
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PP-III-79All the prepared spinel-ox
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PP-III-80Our new process is polluti
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PP-III-81Fig. 1. Scheme of the biog
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PP-III-82Pic. 1 Pic. 2Pic. 1. Schem
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ARKHIPOV Vladimir AfanasievichResea
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CENTENO Felipe OrlandoNúcleo de Ex
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FLID Mark RafailovichScientific Res
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HOSEN Mohammad AnwarUniversity of M
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KOZLOVA EkaterinaBoreskov Institute
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MAKARSHIN Lev LvovichBoreskov Insti
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ONSAN Zeynep IlsenDepartment of Che
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REBOLLAR MoisesInstituto De Investi
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SHEIKH Munir AhmedTraining and Staf
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SULMAN Esfir MikhailovnaTver Techni
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ZHAPBASBYEV Uzak KairbekovichKazakh
Page 619 and 620:
OP-I-3 Pécar D., Gorsek A.COMPARIS
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OP-II-3Kucherov A.V., Finashina E.D
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OP-III-A-9 Rasrendra C.B., Girisuta
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PP-I-9Bykov V., Tsybenova S.B.DYNAM
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PP-I-43 Pechenegov Y.Y., Kuzmina R.
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PP-II-10 Basov N.L., Oreshkin I., T
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PP-II-45 Stepanek J., Koci P., Kubi
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PP-III-19 Fedorova Z.A., Danilova M
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PP-III-53 Pölczmann G., Valyon J.,
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XIX International Conference on Che
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