A mathematical model for the kinetics of the alkali–silica chemical reaction

2015 ◽  
Vol 68 ◽  
pp. 184-195 ◽  
Author(s):  
Victor E. Saouma ◽  
Ruth A. Martin ◽  
Mohammad A. Hariri-Ardebili ◽  
Tetsuya Katayama
Keyword(s):  
Mathematical Model ◽  
Chemical Reaction ◽  
Kinetics Of

SENSITIVITY ANALYSIS AND IDENTIFIABILITY OF A MATHEMATICAL MODEL OF A CHEMICAL REACTION

2021 ◽  
pp. 14-18
Author(s):  
Л.Ф. Сафиуллина
Keyword(s):  
Mathematical Model ◽  
Inverse Problem ◽  
Sensitivity Analysis ◽  
Chemical Reaction ◽  
Reaction Model ◽  
Numerical Calculations ◽  
Specific Reaction ◽  
Uniqueness Of The Solution ◽  
The Mathematical Model ◽  
Kinetics Of

В статье рассмотрен вопрос идентифицируемости математической модели кинетики химической реакции. В процессе решения обратной задачи по оценке параметров модели, характеризующих процесс, нередко возникает вопрос неединственности решения. На примере конкретной реакции продемонстрирована необходимость проводить анализ идентифицируемости модели перед проведением численных расчетов по определению параметров модели химической реакции. The identifiability of the mathematical model of the kinetics of a chemical reaction is investigated in the article. In the process of solving the inverse problem of estimating the parameters of the model, the question arises of the non-uniqueness of the solution. On the example of a specific reaction, the need to analyze the identifiability of the model before carrying out numerical calculations to determine the parameters of the reaction model was demonstrated.

scholarly journals Example of A Kinetic Mathematical Modeling in Food Engineering

2018 ◽  
Vol 22 ◽  
pp. 01029
Author(s):  
Özlem ERTEKİN
Keyword(s):  
Mathematical Modeling ◽  
Mathematical Model ◽  
Differential Equations ◽  
Chemical Reaction ◽  
Function Method ◽  
Reaction Kinetic ◽  
Food Engineering ◽  
Systems Of Differential Equations ◽  
Reaction Processes ◽  
Kinetics Of

Mathematical modeling of biochemical, chemical reaction processes facilitates understanding. The kinetics of these reaction processes can be analyzed mathematically and kinetics are presented as systems of differential equations. Mathematical model of a reaction kinetic is studied in this study. Bernoulli-Sub equation function method is used in this study. This example can be new model for food engineering applications.

scholarly journals Nanofluid flow containing carbon nanotubes with quartic autocatalytic chemical reaction and Thompson and Troian slip at the boundary

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Muhammad Ramzan ◽  
Jae Dong Chung ◽  
Seifedine Kadry ◽  
Yu-Ming Chu ◽  
Muhammad Akhtar
Keyword(s):  
Mathematical Model ◽  
Carbon Nanotubes ◽  
Drag Force ◽  
Chemical Reaction ◽  
Slip Velocity ◽  
Volume Fraction ◽  
Surface Drag ◽  
Nanofluid Flow ◽  
Velocity Parameter ◽  
The Impact

Abstract A mathematical model is envisioned to discourse the impact of Thompson and Troian slip boundary in the carbon nanotubes suspended nanofluid flow near a stagnation point along an expanding/contracting surface. The water is considered as a base fluid and both types of carbon nanotubes i.e., single-wall (SWCNTs) and multi-wall (MWCNTs) are considered. The flow is taken in a Dacry-Forchheimer porous media amalgamated with quartic autocatalysis chemical reaction. Additional impacts added to the novelty of the mathematical model are the heat generation/absorption and buoyancy effect. The dimensionless variables led the envisaged mathematical model to a physical problem. The numerical solution is then found by engaging MATLAB built-in bvp4c function for non-dimensional velocity, temperature, and homogeneous-heterogeneous reactions. The validation of the proposed mathematical model is ascertained by comparing it with a published article in limiting case. An excellent consensus is accomplished in this regard. The behavior of numerous dimensionless flow variables including solid volume fraction, inertia coefficient, velocity ratio parameter, porosity parameter, slip velocity parameter, magnetic parameter, Schmidt number, and strength of homogeneous/heterogeneous reaction parameters are portrayed via graphical illustrations. Computational iterations for surface drag force are tabulated to analyze the impacts at the stretched surface. It is witnessed that the slip velocity parameter enhances the fluid stream velocity and diminishes the surface drag force. Furthermore, the concentration of the nanofluid flow is augmented for higher estimates of quartic autocatalysis chemical.

On the Role of Diffusion in the Oxidation of Fe, Ni, Co and the Fe-Sn Alloy by Calcium and Sodium Sulfates

2006 ◽  
Vol 258-260 ◽  
pp. 63-67
Author(s):  
V.M. Chumarev ◽  
V.P. Maryevich ◽  
V.A. Shashmurin
Keyword(s):  
Co Oxidation ◽  
Chemical Reaction ◽  
Diffusion Processes ◽  
Transport Processes ◽  
Diffusion Transport ◽  
Sodium Sulfates ◽  
Product Forms ◽  
Kinetics Of ◽  
Dominant Part

Diffusion processes play a dominant part in the macro kinetics of Fe, Ni and Co oxidation by calcium and sodium sulfates. Here, the reaction product forms a compact covering which spatially divides the reagents on the surface in the same way as in the oxidation and sulfidization of metals by oxygen and sulfur. Therefore, it is possible to assume in advance that interaction of metals with calcium and sodium sulfates will be determined not by the actual chemical reaction properly but by the diffusion transport processes.

Study of kinetics of reaction of lignin model compounds with propylene oxide

Holzforschung ◽  
2008 ◽  
Vol 62 (2) ◽  
pp. 169-175 ◽  
Author(s):  
Krishna K. Pandey ◽  
Tapani Vuorinen
Keyword(s):  
Chemical Reaction ◽  
Propylene Oxide ◽  
Aqueous Media ◽  
Reaction Products ◽  
Model Compounds ◽  
Rapid Reduction ◽  
Visible Absorption ◽  
Lignin Model Compounds ◽  
Lignin Model ◽  
Kinetics Of

Abstract The etherification of phenolic groups has been found to inhibit photodegradation in wood and lignin rich pulps. The precise understanding of kinetics of chemical reaction between lignins or their model compounds and the etherifying agent is the first step for developing a viable modification procedure. In this study, we have investigated the reaction of lignin model compounds (namely, phenol and guaiacol) with propylene oxide in aqueous media. The kinetics of etherification reaction was studied under varying pH conditions in the temperature range 30–60°C. The etherified reaction products were characterized by gas chromatogram-mass spectrum (GC-MS). The extent of etherification of phenols and the rate of chemical reaction was followed by UV-Visible absorption spectroscopy. The reaction between lignin model compounds and propylene oxide was indicated by a rapid reduction in the absorbance accompanied by the development of a new band corresponding to etherified products. The reaction kinetics was investigated at pH ∼12 under the condition of excess concentration of propylene oxide. The reaction followed first order kinetics and rate constants increased linearly with an increase in the temperature and concentration of propylene oxide. The MS fragment data of reaction product support the proposed reaction scheme. The activation energy of the reaction of propylene oxide with phenol and guaiacol, calculated with the Arrhenius equation, was 56.2 kJ mol-1 and 45.4 kJ mol-1, respectively.

Investigation of the Kinetics of Sulfite Oxidation on by-Production Recovery Process in WFGD

2012 ◽  
Vol 610-613 ◽  
pp. 1980-1985 ◽  
Author(s):  
Hong Jian Xu ◽  
Shu Fang Wang ◽  
Wei Guo Pan ◽  
Rui Tang Guo
Keyword(s):  
Chemical Reaction ◽  
Oxidation Kinetics ◽  
Reaction Rate ◽  
Recovery Process ◽  
Orthogonal Test ◽  
Sulfite Oxidation ◽  
Air Ventilation ◽  
Kinetics Of

The limestone-lime washing technology is the most widely used WFGD process, which normally we adopt to control the discharge of SO2 caused by coal’s combustion. Through the research on the oxidation kinetics of sulfite in this paper, it is indicated that macroscopic chemical reaction which responses to rate of sulfite is 1/2. And the results of orthogonal test can be concluded that: to the extent influence of oxidization reaction rate, the influences of temperature is the most significant, and influences of stirred speed is nearly negligible. The optimized operation factors may be shown as that temperature is controlled at 40°C, air ventilation is at 88ml/min,pH is 4.5 and stir speed is 500 r/min.

Final products and kinetics of biochemical and chemical sulfide oxidation under microaerobic conditions

2018 ◽  
Vol 78 (9) ◽  
pp. 1916-1924 ◽  
Author(s):  
Lucie Pokorna-Krayzelova ◽  
Dana Vejmelková ◽  
Lara Selan ◽  
Pavel Jenicek ◽  
Eveline I. P. Volcke ◽  
...  
Keyword(s):  
Mathematical Model ◽  
Oxidation Rate ◽  
Elemental Sulfur ◽  
Sulfide Oxidation ◽  
Cost Effective ◽  
Anaerobic Treatment ◽  
Batch Experiments ◽  
Cost Effective Method ◽  
Microaerobic Conditions ◽  
Kinetics Of

Abstract Hydrogen sulfide is a toxic and usually undesirable by-product of the anaerobic treatment of sulfate-containing wastewater. It can be removed through microaeration, a simple and cost-effective method involving the application of oxygen-limiting conditions (i.e., dissolved oxygen below 0.1 mg L−1). However, the exact transformation pathways of sulfide under microaerobic conditions are still unclear. In this paper, batch experiments were performed to study biochemical and chemical sulfide oxidation under microaerobic conditions. The biochemical experiments were conducted using a strain of Sulfuricurvum kujiense. Under microaerobic conditions, the biochemical sulfide oxidation rate (in mg S L−1 d−1) was approximately 2.5 times faster than the chemical sulfide oxidation rate. Elemental sulfur was the major end-product of both biochemical and chemical sulfide oxidation. During biochemical sulfide oxidation elemental sulfur was in the form of white flakes, while during chemical sulfide oxidation elemental sulfur created a white suspension. Moreover, a mathematical model describing biochemical and chemical sulfide oxidation was developed and calibrated by the experimental results.

CH4 Direct Reduction of In-Flight Fe3O4 Concentrate Particles

2018 ◽  
Vol 14 (1) ◽  
Author(s):  
Bahador Abolpour ◽  
M. Mehdi Afsahi ◽  
Ataallah Soltani Goharrizi
Keyword(s):  
Experimental Data ◽  
Mathematical Model ◽  
Fine Particles ◽  
Direct Reduction ◽  
Constant Heat Flux ◽  
Constant Heat ◽  
Dynamic Motion ◽  
Magnetite Ore ◽  
Model Predictions ◽  
Kinetics Of

Abstract In this study, reduction of in-flight fine particles of magnetite ore concentrate by methane at a constant heat flux has been investigated both experimentally and numerically. A 3D turbulent mathematical model was developed to simulate the dynamic motion of these particles in a methane content reactor and experiments were conducted to evaluate the model. The kinetics of the reaction were obtained using an optimizing method as: [-Ln(1-X)]1/2.91 = 1.02 × 10−2dP−2.07CCH40.16exp(−1.78 × 105/RT)t. The model predictions were compared with the experimental data and the data had an excellent agreement.

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