Modelling of hydrocracking with vapour–liquid equilibrium

Pellegrini, Laura; Gamba, Simone; Calemma, Vincenzo; Bonomi, S.

doi:10.1016/j.ces.2008.06.002

Cited by 41 publications

(59 citation statements)

References 32 publications

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“…19 Fugacity of each molecule in the reaction mixture (paraffins and H 2 ) is estimated by means of vapor-liquid equilibrium calculations, using the Redlich-Kwong-Soave cubic equation of state. Flash calculations are performed at the reactor inlet and at nine points along the length of the catalytic bed.…”

Section: 27mentioning

confidence: 99%

“…[17][18][19][20] The ''all component'' version of the model is able to describe the distribution of the HDK products in the range from C1 to C70, divided into linear and branched products, the latter considered as a unique lump. 18 In an improved version, 19 vapor-liquid equilibrium was accounted for by describing the mixture composition with fugacity. A critical hypothesis of this version is that cracking of the CAC bond is supposed to occur in the middle of the chain.…”

Section: Introductionmentioning

confidence: 99%

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Hydrocracking of Fischer‐Tropsch waxes: Kinetic modeling via LHHW approach

et al. 2011

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A lumped kinetic model to describe the hydrocracking of complex mixtures of paraffins, such as Fischer-Tropsch waxes, has been developed. A Langmuir-HinshelwoodHougen-Watson approach has been followed, accounting for physisorption by means of the Langmuir isotherm. Finally, a complete form of the rate expression is used, thus introducing the equilibrium constants for dehydrogenation and protonation elementary steps. To minimize the number of model parameters, the kinetic and thermodynamic constants are defined as functions of the chain length. Vapor-liquid equilibrium is calculated along the reactor, and the hydrocarbons concentrations are described by means of fugacity. The model provides quite a good fitting of experimental results and is able to predict the effects of the operating conditions (temperature, pressure, H 2 / wax ratio, and WHSV). Outstandingly, the estimated values and trends of the kinetic and thermodynamic constants (activation energies, Langmuir adsorption constants, etc.) are in line with their physical meaning.

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Section: 27mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Hydrocracking of Fischer‐Tropsch waxes: Kinetic modeling via LHHW approach

et al. 2011

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“…A wide variety of models has been proposed for the simulation of hydrocracking [24][25][26][27][28][29][30][31][32][33]. The complexity of the developed models depends on the molecular detail.…”

Section: Introductionmentioning

confidence: 99%

Design of Optimum Zeolite Pore System for Central Hydrocracking of Long-Chain n-Alkanes based on a Single-Event Microkinetic Model

et al. 2009

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Model based catalyst design is an emerging methodology in the development of new catalytic materials with properties tailored to the needs of specific industrial applications. A Single-Event MicroKinetic model (SEMK) was used to assess the hydrocracking behavior of n-dodecane, 4,4,6-trimethyl nonane and 2,5,8-trimethyl nonane, on a non-selective USY zeolite. The differences in cracking pattern exhibited by the various feed molecules provide guidelines for the control of the cracked product distribution through modifications of the zeolite pore structure. The connection of ZSM-22 type channels to the zeolite Y super cage is considered in this work. The percentage of C 6 products obtained by central cracking in the chain can be increased from 25% up to 93% by the design of an appropriate zeolite topology combining USY-like super cages with ZSM-22 like channel segments. This is a promising approach for the development of zeolite catalysts for the selective hydrocracking of Fischer Tropsch waxes into middle distillates.

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“…The waxy products of the FTsynthesis are characterized by the absence of sulfur compounds. For this reason, noble metals such as Pt and Pd or PtPd alloys, which would otherwise be poisoned, can be used in hydrocracking catalysts, and provide high selectivity to middle distillate [11][12][13][14][15][16][17][18][19]. Due to the high content of linear paraffins in FT-waxes, the resulting fuels are characterized by a high cetane number (good combustion properties).…”

Section: Introductionmentioning

confidence: 99%