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Accessible Unlicensed Requires Authentication Published by De Gruyter April 3, 2019

Mathematical modeling of multicomponent catalytic processes of petroleum refining and petrochemistry

Emiliya D. Ivanchina, Elena N. Ivashkina, Irena O. Dolganova and Nataliya S. Belinskaya

Abstract

This review summarizes Russian developments on the most important industrial processes of hydrocarbon feedstock refining according to the data of the last 15–20 years on the kinetics of deactivation of heterogeneous and liquid-phase catalysts under non-stationary conditions. The methodological aspects of the creation and application of kinetic models for the deactivation of heterogeneous and liquid-phase catalysts under non-stationary conditions are considered. It is shown that high efficiency of catalytic technologies is ensured by regulation of hydrodynamic and thermal conditions of industrial processes of gasoline reforming, alkane dehydrogenation, alkylation of benzene with higher alkenes and catalytic dewaxing using kinetic models, which take into account catalyst deactivation.

Nomenclature

αj

coefficient of poisoning

a0

activity of a fresh catalyst, rel. units

a

activity of a catalyst, rel. units

Ccoke

concentration of coke (%wt.)

hc

the catalyst circulation ratio

ρmix, ρmix

density of the reaction mixture (kg m−3)

ρcat, ρcat

density of the catalyst (kg m−3)

PeD

the diffusion Peclet number

PeT

the thermal Peclet number

z

the total volume of the recycled raw materials (m3)

G

feed flow (m3 h−1)

u

linear flow rate (m h−1)

l

length of the catalyst bed in the reactor (m)

φ

rate of the catalyst movement (m h−1)

Wj

reaction rate (mol m−3 h−1)

Cpcat

heat capacity of the catalyst (J kg−3 K−1)

Qj

heat of the jth reaction (J mol−1)

Т

temperature (K)

Тin

initial temperature (K)

τ

contact time (h)

t

time (h)

r

radius of the catalyst bed (m)

C(Cl)

amount of surface chlorine (mol m−3)

M

mole ratio of water and hydrogen chloride in the reaction volume (%mol.)

Kp

equilibrium constant of the chemical reaction (Pa)

Dag

active surface of a deactivated catalyst as a result of aging (m2)

D0

active surface of a fresh catalyst (m2)

Fcoke

active surface of a coked catalyst (m2)

F0

active surface of a fresh catalyst (m2)

CHAR

concentration of HAR (%wt.)

Cpmix

heat capacity of reaction mixture (J m−3 K−1)

V

reaction volume (m3)

R

universal gas constant (J m−3 K−1)

kj

reaction rate constant of the jth reaction (h−1 or m−3 mole h−1)

nj

mole flow of the jth component (mole)

Σn

total mole flow of components (mole)

k0j

preexponential factor (h−1 or m−3 mole h−1)

Ei

activation energy (J mole−1)

P

total pressure (MPa)

gnP

current values of weight ratios of linear hydrocarbons >195°C (%wt.)

giso−P

current values of weight ratios of branched alkanes >195°C (%wt.)

gH

current values of weight ratios of naphthenic hydrocarbons >195°C (%wt.)

gPr

weight ratio of gaseous hydrocarbons and C5 fraction 195°C (%wt.)

g0i

initial weight ratio of the components in the feedstock (%wt.)

ΔG

change in the reaction Gibbs energy value of the reaction (J mole−1)

ΔS

change in the reaction entropy (J mole−1 K−1)

nH2O(i+1)

initial amount of H2O at Ti+1 (mole)

nCO(i+1)

equilibrium amount of CO at Ti+1 (mole)

nCO(i)

equilibrium amount of CO at Ti (mole)

(nH2O(i+1)nCO(i+1))

equilibrium amount of H2O at Ti+1 (mole)

(niH2OnCO(i))

equilibrium amount of H2O at Ti (mole)

(nH2O(i+1)+1.25nCO(i+1))

equilibrium amount of H2 at Ti+1 (mole)

(niH2O+1.25nCO(i))

equilibrium amount of H2 at Ti (mole)

Ki+1

equilibrium constant at Ti+1 (Pa)

Ca

concentrations of styrene (%wt.)

Cb

concentrations of ethylbenzene (%wt.)

Cc

concentrations of hydrogen (%wt.)

Cd

concentrations of benzene (%wt.)

Ce

concentrations of ethylene (%wt.)

Cf

concentrations of toluene (%wt.)

Cg

concentrations of methane (%wt.)

Ch

concentrations of carbon (%wt.)

Ck

concentrations of carbon monoxide (%wt.)

Cm

concentrations of carbon dioxide (%wt.)

Acknowledgments

The work was financed by subsidy for state support to the leading universities of the Russian Federation in order to increase their competitiveness among the world’s leading research and educational centers. The research was also supported by Russian State Project “Science” 10.13268.2018/8.9.

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Received: 2018-06-15
Accepted: 2019-01-30
Published Online: 2019-04-03
Published in Print: 2021-01-27

©2019 Walter de Gruyter GmbH, Berlin/Boston