scholarly journals Search for optimal conditions for a chemical reaction based on a kinetic model

Author(s):  
Евгения Антипина ◽  
Светлана Мустафина ◽  
Андрей Антипин
2012 ◽  
Vol 476-478 ◽  
pp. 1454-1458
Author(s):  
Jun Guo Li ◽  
Shou Zhang Li ◽  
Wei Tian

Spherical sponge iron (SSI) with high activity and intension could be prepared through direct reduction by hydrogen. To optimize the reduction technology, kinetic model of SSI reduction was established. The total reaction rate changing with reduction index R was deduced which describing the total reaction rate with effective diffusion coefficient De and chemical reaction rate constant k. According to the weight loss curve of SSI reduction, De and k were calculated. The total reactive rate increased with the increasing of temperature because both De and k increased with the increasing of reaction temperature. Compared De with k, it concluded that SSI reduced by hydrogen was controlled by the chemical reaction, combination of the chemical reaction and the internal diffusion, the internal diffusion when the temperature was lower than T3, from T3 to T4, over T5, respectively.


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.


2019 ◽  
Author(s):  
Mohsen Farshad ◽  
Dylan Suvlu ◽  
Jayendran C. Rasaiah

We describe a kinetic model of ligand-mediated nanocluster (diameter < 2 nm) formation. We investigate two growth pathways: classical single-monomer addition, and autocatalytic growth. We compare our results to some relevant experiments and we discuss and generally describe the optimal conditions for "bottom up" nanocluster synthesis.<br>


RSC Advances ◽  
2016 ◽  
Vol 6 (27) ◽  
pp. 22383-22388 ◽  
Author(s):  
Zhoucan Xie ◽  
Zengsheng Ma ◽  
Yan Wang ◽  
Yichun Zhou ◽  
Chunsheng Lu

In this paper, a kinetic model is proposed that combines lithium ion diffusion through a lithiated phase with chemical reaction at the interface between lithiated amorphous and crystalline silicon.


Author(s):  
Ludmila N. Vosmerikova ◽  
Anton A. Vosmeriko ◽  
Yakov E. Barbashin ◽  
Alexander V. Vosmerikov

Kinetic features of the propane conversion into aromatic hydrocarbons over a gallium-containing zeolite catalyst have been investigated. On the basis of the experimentally obtained kinetic dependences and the available literature data, a kinetic model of propane aromatization is proposed, which makes it possible to form various variations of chemical reaction behavior and to calculate the most probable routes of propane conversion


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