A methodology for the simultaneous development of linear and nonlinear chemical reaction models from a linearly designed experimental program

1995 ◽  
Vol 29 (1) ◽  
pp. 125-131 ◽  
Author(s):  
Kent P. Steele ◽  
Mark W. Zettler
2021 ◽  
pp. 106964
Author(s):  
Hongbo Guo ◽  
Xiongbin Jia ◽  
Ningbo Zhao ◽  
Shuying Li ◽  
Hongtao Zheng ◽  
...  

Fuel ◽  
2021 ◽  
pp. 122599 ◽  
Author(s):  
Timothy I. Anderson ◽  
Anthony R. Kovscek

Author(s):  
K. Gautam ◽  
P. A. L. Narayana

Carbon dioxide (CO 2 ) sequestration in deep saline aquifers is considered to be one of the most promising solutions to reduce the amount of greenhouse gases in the atmosphere. As the concentration of dissolved CO 2 increases in unsaturated brine, the density increases and the system may ultimately become unstable, and it may initiate convection. In this article, we study the stability of convection in an anisotropic horizontal porous layer, where the solute is assumed to decay via a first-order chemical reaction. We perform linear and nonlinear stability analyses based on the steady-state concentration field to assess neutral stability curves as a function of the anisotropy ratio, Damköhler number and Rayleigh number. We show that anisotropy in permeability and solutal diffusivity play an important role in convective instability. It is shown that when solutal horizontal diffusivity is larger than the vertical diffusivity, varying the ratio of vertical to horizontal permeabilities does not significantly affect the behaviour of instability. It is also noted that, when horizontal permeability is higher than the vertical permeability, varying the ratio of vertical to horizontal solutal diffusivity does have a substantial effect on the instability of the system when the reaction rate is dominated by the diffusion rate. We used the Chebyshev-tau method coupled with the QZ algorithm to solve the eigenvalue problem obtained from both the linear and nonlinear stability theories.


Author(s):  
Л.Ф. Нурисламова ◽  
И.М. Губайдуллин

Авторами статьи ведутся работы, направленные на разработку численного подхода к анализу параметрической идентифицируемости модели химической реакции методами анализа чувствительности для эффективного исследования и управления процессом химической реакции. Целью настоящей работы является определение параметров, подлежащих идентификации в условиях задаваемой погрешности измерений, химической реакции на примере процесса пиролиза пропана и определение незначимых параметров модели. Выполнена редукция 157-стадийной детальной схемы пиролиза пропана к 30-стадийной схеме. Предложена кинетическая модель для анализа низкотемпературного пиролиза пропана. Модель адекватно описывает выход наблюдаемых продуктов реакции при атмосферном давлении. Идентифицированы параметры кинетической модели пиролиза пропана путем решения обратной задачи химической кинетики. The authors of this paper develop a numerical approach to analyze the parametric identifiability of chemical reaction models by the methods of sensitivity analysis for the efficient study and management of chemical reaction processes. The primary objective of this paper is to determine the parameters to be identified for the propylene pyrolysis process and to determine the insignificant parameters of the model. The 157-step detailed pyrolysis scheme of propane is reduced to the 30-step scheme. A kinetic model is proposed to analyze the low-temperature pyrolysis of propane. This model adequately describes the yield of observed reaction products at atmospheric pressure. The parameters of the kinetic model of propane pyrolysis are identified by solving the inverse problem of chemical kinetics.


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