Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
An equation-oriented approach to modeling heterogeneous catalytic reactors. / Vernikovskaya, N. V.
в: Chemical Engineering Journal, Том 329, 01.12.2017, стр. 15-24.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - An equation-oriented approach to modeling heterogeneous catalytic reactors
AU - Vernikovskaya, N. V.
PY - 2017/12/1
Y1 - 2017/12/1
N2 - At multiscale modeling of heterogeneous catalytic reactors there appear systems comprising a large number of equations. The solution of such systems is an arduous task and available algorithms require voluminous computations. A modeling strategy has been suggested for such systems. An effective solution algorithm has been developed for a large class of models based on the application of an identical set of numerical tools such as integro-interpolation method, method of straight lines, a special case of a second-order Rosenbrock method, tridiagonal matrix algorithm or Thomas algorithm on each scale of a multiscale reactor model. Step size control is implemented with account for the rate of change of the variables on each scale. The efficiency and robustness of this algorithm were demonstrated at multiscale modeling of heterogeneous catalytic reactors such as tubular reactors, monolith catalytic reactor, and fluidized bed reactor. When switching between reactor types at multiscale modeling it is not necessary to modify the algorithm. The algorithm can also be used for multiscale modeling of heterogeneous catalytic reactors of other types.
AB - At multiscale modeling of heterogeneous catalytic reactors there appear systems comprising a large number of equations. The solution of such systems is an arduous task and available algorithms require voluminous computations. A modeling strategy has been suggested for such systems. An effective solution algorithm has been developed for a large class of models based on the application of an identical set of numerical tools such as integro-interpolation method, method of straight lines, a special case of a second-order Rosenbrock method, tridiagonal matrix algorithm or Thomas algorithm on each scale of a multiscale reactor model. Step size control is implemented with account for the rate of change of the variables on each scale. The efficiency and robustness of this algorithm were demonstrated at multiscale modeling of heterogeneous catalytic reactors such as tubular reactors, monolith catalytic reactor, and fluidized bed reactor. When switching between reactor types at multiscale modeling it is not necessary to modify the algorithm. The algorithm can also be used for multiscale modeling of heterogeneous catalytic reactors of other types.
KW - Catalytic reactors
KW - Multiscale modeling
KW - Numerical methods
KW - OXIDATION
KW - ACID
KW - STEAM REFORMING CATALYSTS
KW - SIMULATION
KW - TRENDS
UR - http://www.scopus.com/inward/record.url?scp=85019705825&partnerID=8YFLogxK
U2 - 10.1016/j.cej.2017.05.095
DO - 10.1016/j.cej.2017.05.095
M3 - Article
AN - SCOPUS:85019705825
VL - 329
SP - 15
EP - 24
JO - Chemical Engineering Journal
JF - Chemical Engineering Journal
SN - 1385-8947
ER -
ID: 9443932