A novel methodology for the modeling of CO2 absorption in monoethanolamine (MEA) using discrimination of rival kinetics

Hiwale, Rameshwar; Smith, Robin; Hwang, Sungwon

doi:10.1016/j.jiec.2014.10.016

Cited by 5 publications

(4 citation statements)

References 29 publications

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“…The goodness of fit of the polynomial model was represented by the coefficients of specification, the absolute average deviation (AAD), R 2 , and adj-R 2 through Eqs. ( 15)- (17). AAD should be as low as possible between the predicted and observed values, and adj-R 2 should be close to 1.0.…”

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confidence: 90%

“…Furthermore, there is minimal solvent loss, low volatility, and a low energy requirement for solvent regeneration 12 , high thermal stability, high reaction rate, long-term stability, and high thermal stability are significant in the CO 2 capture process 13 . The piperazine (Pz) solvent has many useful properties, including high CO 2 capture capacity, fast CO 2 absorption rate [14][15][16] , low regeneration energy and thermal damage, low oxidative damage, and low corrosion compared to MEA, which is widely used, DEA, and another alkyl amine 11,17,18 . To increase the fundamental ability and improve some of the Pz properties, modified absorbents are provided by adding various amines and metal oxides to the solution 19 .…”

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confidence: 99%

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Modeling and optimization of CO2 mass transfer flux into Pz-KOH-CO2 system using RSM and ANN

Pashaei

Mashhadimoslem

Ghaemi

2023

Sci Rep

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In this research, artificial neural networks (ANN) and response surface methodology (RSM) were applied for modeling and optimization of carbon dioxide (CO2) absorption using KOH-Pz-CO2 system. In the RSM approach, the central composite design (CCD) describes the performance condition in accordance with the model using the least-squares technique. The experimental data was placed in second-order equations applying multivariate regressions and appraised applying analysis of variance (ANOVA). The p-value for all dependent variables was obtained to be less than 0.0001, indicating that all models were significant. Furthermore, the experimental values obtained for the mass transfer flux satisfactorily matched the model values. The R2 and Adj-R2 models are 0.9822 and 0.9795, respectively, which, it means that 98.22% of the variations for the NCO2 is explained by the independent variables. Since the RSM does not create any details about the quality of the solution acquired, the ANN method was applied as the global substitute model in optimization problems. The ANNs are versatile utensils that can be utilized to model and anticipate different non-linear and involved processes. This article addresses the validation and improvement of an ANN model and describes the most frequently applied experimental plans, about their restrictions and generic usages. Under different process conditions, the developed ANN weight matrix could successfully forecast the behavior of the CO2 absorption process. In addition, this study provides methods to specify the accuracy and importance of model fitting for both methodologies explained herein. The MSE values for the best integrated MLP and RBF models for the mass transfer flux were 0.00019 and 0.00048 in 100 epochs, respectively.

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confidence: 99%

Modeling and optimization of CO2 mass transfer flux into Pz-KOH-CO2 system using RSM and ANN

Pashaei

Mashhadimoslem

Ghaemi

2023

Sci Rep

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“…In this study, the oxidative dehydrogenation of butene to 1, 3-butadiene over a Zn-Cr-Fe catalyst in a 3-dimensional multi-tubular shell and tube type reactor was investigated. Rigorous mathematical modeling of reaction kinetics from the experimental work of Sterrett et al [17] was implemented. The catalyst was modeled as a porous zone to include the effects of pressure drop, mass, and heat transfer.…”

Section: Discussionmentioning

confidence: 99%

“…In particular, ferrite and Bi-Mo catalysts have been extensively used due to their high catalytic activity and selectivity [7,16]. Typically, reaction mechanisms and kinetics are identified before modeling the reaction system for reactor design [17]. Several mechanisms have been suggested for this catalytic reaction.…”

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confidence: 99%

3-D Multi-Tubular Reactor Model Development for the Oxidative Dehydrogenation of Butene to 1,3-Butadiene

2020

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The oxidative dehydrogenation (ODH) of butene has been recently developed as a viable alternative for the synthesis of 1,3-butadiene due to its advantages over other conventional methods. Various catalytic reactors for this process have been previously studied, albeit with a focus on lab-scale design. In this study, a multi-tubular reactor model for the butadiene synthesis via ODH of butene was developed using computational fluid dynamics (CFD). For this, the 3D multi-tubular model, which combines complex reaction kinetics with a shell-side coolant fluid over a series of individual reactor tubes, was generated using OpenFOAM®. Then, the developed model was validated and analyzed with the experimental results, which gave a maximum error of 7.5%. Finally, parametric studies were conducted to evaluate the effect of thermodynamic conditions (isothermal, non-isothermal and adiabatic), feed temperature, and gas velocity on reactor performance. The results showed the formation of a hotspot at the reactor exit, which necessitates an efficient temperature control at that section of the reactor. It was also found that as the temperature increased, the conversion and yield increased whilst the selectivity decreased. The converse was found for increasing velocities.

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CO 2 absorption into loaded aqueous MEA solutions: Impact of different model parameter correlations and thermodynamic models on the absorption rate model predictions

Putta

Svendsen

Knuutila

2017

Chemical Engineering Journal

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7One-dimensional rate based model was used for assessing the impact of correlations and/or 8 models for VLE (thermodynamics), solubility (CO2 henry's law constant), reaction rate kinetic 9 models and diffusivity of CO2 in aqueous MEA solutions on the performance of absorber for lab-10 scale CO2 capture. Experimental data from four different set-ups covering wide range of 11 condition was utilized for the assessment. Four different thermodynamic models and eight 12 different henry's constant correlations/models including the Aspen Plus V8.6 e-NRTL-RK 13 model was used in the study to evaluate the impact. Even though the individual models and 14 solubility were validated with independent experimental data, the use of different models gave 15 different predictions when used in the rate based simulation. It was seen that the impact of using 16 different henry's law constant correlations was observed to have very huge effect on model 17 predictions. Seven different reaction rate kinetic models were used to study impact on model 18 prediction accuracy and it was found that no single kinetic model able to predict the 19 experimental data from all the sources better than the base case kinetic model. Also it was seen 20 that transport property (CO2 diffusivity in MEA) correlations could have large impact on the 21 * Corresponding author: hanna.knuutila@ntnu.no accuracy of model predictions and correlations based on N2O analogy were seem to be good 22 compared to the ones based on modified Stokes-Einstein correlation. As a special case, 23 frequently used kinetic models were used with thermodynamic model and transport properties 24 taken from Aspen Plus V8.6 and it was found that two kinetic models predict the experimental 25 data with acceptable accuracy. 26

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A novel methodology for the modeling of CO2 absorption in monoethanolamine (MEA) using discrimination of rival kinetics

Cited by 5 publications

References 29 publications

Modeling and optimization of CO2 mass transfer flux into Pz-KOH-CO2 system using RSM and ANN

Modeling and optimization of CO2 mass transfer flux into Pz-KOH-CO2 system using RSM and ANN

3-D Multi-Tubular Reactor Model Development for the Oxidative Dehydrogenation of Butene to 1,3-Butadiene

CO 2 absorption into loaded aqueous MEA solutions: Impact of different model parameter correlations and thermodynamic models on the absorption rate model predictions

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