scholarly journals Modelling and Simulation of the Radiant Field in an Annular Heterogeneous Photoreactor Using a Four-Flux Model

2018 ◽  
Vol 2018 ◽  
pp. 1-16 ◽  
Author(s):  
O. Alvarado-Rolon ◽  
R. Natividad ◽  
R. Romero ◽  
L. Hurtado ◽  
A. Ramírez-Serrano
Keyword(s):  
Photocatalytic Oxidation ◽  
Reaction Rate ◽  
Comsol Multiphysics ◽  
Discrete Ordinate Method ◽  
Discrete Ordinate ◽  
Cylindrical Coordinates ◽  
Volumetric Rate ◽  
Flux Model ◽  
Reaction Rate Equation ◽  
Good Agreement

This work focuses on modeling and simulating the absorption and scattering of radiation in a photocatalytic annular reactor. To achieve so, a model based on four fluxes (FFM) of radiation in cylindrical coordinates to describe the radiant field is assessed. This model allows calculating the local volumetric rate energy absorption (LVREA) profiles when the reaction space of the reactors is not a thin film. The obtained results were compared to radiation experimental data from other authors and with the results obtained by discrete ordinate method (DOM) carried out with the Heat Transfer Module of Comsol Multiphysics® 4.4. The FFM showed a good agreement with the results of Monte Carlo method (MC) and the six-flux model (SFM). Through this model, the LVREA is obtained, which is an important parameter to establish the reaction rate equation. In this study, the photocatalytic oxidation of benzyl alcohol to benzaldehyde was carried out, and the kinetic equation for this process was obtained. To perform the simulation, the commercial software COMSOL Multiphysics v. 4.4 was employed.

scholarly journals Heterogeneous Photocatalysis Applied to Indoor Building Material: Towards an Improved Indoor Air Quality

2011 ◽  
Vol 255-260 ◽  
pp. 2836-2840
Author(s):  
Qing Liang Yu ◽  
M.M. Ballari ◽  
H.J.H. Brouwers
Keyword(s):  
Nitric Oxide ◽  
Indoor Air ◽  
Photocatalytic Oxidation ◽  
Reaction Rate ◽  
Heterogeneous Photocatalysis ◽  
Air Pollutant ◽  
Rate Model ◽  
Proposed Model ◽  
Kinetics Of ◽  
Good Agreement

In the present article, kinetics of the photocatalytic oxidation (PCO) of nitric oxide (NO, as a typical air pollutant) is addressed. An extended Langmuir-Hinshelwood reaction rate model is proposed to describe the PCO of NO under indoor air conditions. The derived model incorporates the influence of the indoor air conditions in the process of the PCO. The good agreement between the predictions from the model and experimental results indicates the validity of the proposed model.

scholarly journals Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism

2021 ◽  
Vol 46 ◽  
pp. 146867832095686
Author(s):  
Mohammad Zakarianezhad ◽  
Sayyed Mostafa Habibi-Khorassani ◽  
Batoul Makiabadi ◽  
Elham Zeydabadi
Keyword(s):  
Reaction Mechanism ◽  
Potential Energy Surfaces ◽  
Reaction Rate ◽  
Product Configuration ◽  
Experimental Investigations ◽  
Uv Spectrophotometry ◽  
Three Component Reaction ◽  
Energy Surfaces ◽  
Theoretical Results ◽  
Reaction Rate Equation

The reaction kinetics among isoquinoline, dimethyl acetylenedicarboxylate, and indole (as NH-acid) were investigated using ultraviolet (UV) spectrophotometry. The reaction rate equation was obtained, the dependence of the reaction rate on different reactants was determined, and the overall rate constant ( kov) was calculated. By studying the effects of solvent, temperature, and concentration on the reaction rate, some useful information was obtained. A logical mechanism consistent with the experimental observations was proposed. Also, comprehensive theoretical studies were performed to evaluate the potential energy surfaces of all structures that participated in the reaction mechanism. Finally, the proposed mechanism was confirmed by the obtained results and the probable and logical reaction paths and also a correct product configuration were suggested based on the theoretical results.

scholarly journals Synergistic Effect of Nanophotocatalysis and Nonthermal Plasma on the Removal of Indoor HCHO

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Yuanwei Lu ◽  
Dinghui Wang ◽  
Yuting Wu ◽  
Chongfang Ma ◽  
Xingjuan Zhang ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Indoor Air ◽  
Photocatalytic Oxidation ◽  
Reaction Rate ◽  
Nonthermal Plasma ◽  
Pollutant Removal ◽  
Pollutant Concentration ◽  
Air Purification ◽  
Plate Electrode ◽  
Air Treatment

Photocatalysis is an effective method of air purification at the condition of a higher pollutant concentration. However, its wide application in indoor air cleaning is limited due to the low level of indoor air contaminants. Immobilizing the nanosized TiO2particles on the surface of activated carbon filter (TiO2/AC film) could increase the photocatalytic reaction rate as a local high pollutant concentration can be formed on the surface of TiO2by the adsorption of AC. However, the pollutant removal still decreased quickly with the increase in flow velocity, which results in a decrease in air treatment capacity. In order to improve the air treatment capacity by the photocatalytic oxidation (PCO) method, this paper used formaldehyde (HCHO) as a contaminant to study the effect of combination of PCO with nonthermal plasma technology (NTP) on the removal of HCHO. The experimental results show that HCHO removal is more effective with line-to-plate electrode discharge reactor; the HCHO removal and the reaction rate can be enhanced and the amount of air that needs to be cleaned can be improved. Meanwhile, the results show that there is the synergistic effect on the indoor air purification by the combination of PCO with NTP.

The kinetics of the decarboxylation of β-resorcylic acid in catechol

1976 ◽  
Vol 29 (2) ◽  
pp. 443 ◽  
Author(s):  
MA Haleem ◽  
MA Hakeem
Keyword(s):  
Rate Equation ◽  
Kinetic Data ◽  
Reaction Rate ◽  
Complex Mechanism ◽  
First Order ◽  
Absolute Reaction Rate ◽  
First Time ◽  
Kinetics Of ◽  
Absolute Reaction ◽  
Reaction Rate Equation

Kinetic data are reported for the decarboxylation of β-resorcylic acid in resorcinol and catechol for the first time. The reaction is first order. The observation supports the view that the decomposition proceeds through an intermediate complex mechanism. The parameters of the absolute reaction rate equation are calculated.

scholarly journals Optimization and parallelization of the discrete ordinate method for radiation transport simulation in OpenFOAM: Hierarchical combination of shared and distributed memory approaches

2021 ◽  
Vol 1 ◽  
pp. 2
Author(s):  
Jose Moreno-SanSegundo ◽  
Cintia Casado ◽  
David Concha ◽  
Antonio S. Montemayor ◽  
Javier Marugán
Keyword(s):  
Distributed Memory ◽  
Radiation Transport ◽  
Computational Time ◽  
Limiting Factor ◽  
Discrete Ordinate Method ◽  
Discrete Ordinate ◽  
Radiation Sources ◽  
Transport Problems ◽  
Volume Models ◽  
Spatial Cell

This paper describes the reduction in memory and computational time for the simulation of complex radiation transport problems with the discrete ordinate method (DOM) model in the open-source computational fluid dynamics platform OpenFOAM. Finite volume models require storage of vector variables in each spatial cell; DOM introduces two additional discretizations, in direction and wavelength, making memory a limiting factor. Using specific classes for radiation sources data, changing the store of fluxes and other minor changes allowed a reduction of 75% in memory requirements. Besides, a hierarchical parallelization was developed, where each node of the standard parallelization uses several computing threads, allowing higher speed and scalability of the problem. This architecture, combined with optimization of some parts of the code, allowed a global speedup of x15. This relevant reduction in time and memory of radiation transport opens a new horizon of applications previously unaffordable.

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