Efficient hybrid modeling of CO2 absorption in aqueous solution of piperazine: Applications to energy and environment

Dashti, Amir; Raji, Mojtaba; Razmi, Amir Reza; Rezaei, Nima; Zendehboudi, Sohrab; Asghari, Morteza

doi:10.1016/j.cherd.2019.01.019

Cited by 64 publications

(33 citation statements)

References 82 publications

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“…Piperazine (PZ) is a very well-known cyclic secondary amine [35,36]. The 8 m solution of this amine showed volatility similar to MEA but the advantage of faster kinetics (more than twice) and higher capacity (double) than MEA [37].…”

Section: Cyclic Aminesmentioning

confidence: 99%

Role of solvents in CO2 capture processes: The review of selection and design methods

Borhani

Wang

2019

Renewable and Sustainable Energy Reviews

254

123

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Solvent selection and design are imperative in the CO2 capture process. The efficiency and the overall cost of the process are directly affected by the solvent as a consequence of the effect of solvent on factors such as CO2 absorption capacity, size of equipment, and solvent regeneration energy. This review paper aims to review the most important solvents and mixtures of solvents, absorbing CO2 via chemisorption, physisorption and chemi-physisoprtion. Characteristic and structure of different solvents are presented with the advantages and disadvantages of each being highlighted. Mixtures of solvents include chemical or physical solvents only, and combinations of physical and chemical solvents are categorised. In addition to common solvents, phase change solvents are also described. Once a comprehensive list of solvents is presented, different methods of solvent selection and design are illustrated, namely methods involving experiments, process and equilibrium models, predictive models, and computer-aided molecular design (CAMD). The importance of integrated solvent and process selection and design is also discussed. The most recent and selected progress studies in each section are reviewed in detail.

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Section: Cyclic Aminesmentioning

confidence: 99%

Role of solvents in CO2 capture processes: The review of selection and design methods

Borhani

Wang

2019

Renewable and Sustainable Energy Reviews

254

123

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“…The concentration of atmospheric CO 2 has increased from 270 ppm before the industrial revolution to more than 400 ppm today, mainly due to the increasing consumption of fossil fuels 1 . In addition, it is widely believed that CO 2 has a major role in global climate change 2 . Thus, carbon capture technology has been employed as a promising route to reduce the CO 2 concentration into the atmosphere and inhibit global warming 3 , 4 .…”

Section: Introductionmentioning

confidence: 99%

Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach

Gheytanzadeh

Baghban

Habibzadeh

et al. 2021

Sci Rep

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In recent years, new developments in controlling greenhouse gas emissions have been implemented to address the global climate conservation concern. Indeed, the earth's average temperature is being increased mainly due to burning fossil fuels, explicitly releasing high amounts of CO2 into the atmosphere. Therefore, effective capture techniques are needed to reduce the concentration of CO2. In this regard, metal organic frameworks (MOFs) have been known as the promising materials for CO2 adsorption. Hence, study on the impact of the adsorption conditions along with the MOFs structural properties on their ability in the CO2 adsorption will open new doors for their further application in CO2 separation technologies as well. However, the high cost of the corresponding experimental study together with the instrument's error, render the use of computational methods quite beneficial. Therefore, the present study proposes a Gaussian process regression model with four kernel functions to estimate the CO2 adsorption in terms of pressure, temperature, pore volume, and surface area of MOFs. In doing so, 506 CO2 uptake values in the literature have been collected and assessed. The proposed GPR models performed very well in which the exponential kernel function, was shown as the best predictive tool with R2 value of 1. Also, the sensitivity analysis was employed to investigate the effectiveness of input variables on the CO2 adsorption, through which it was determined that pressure is the most determining parameter. As the main result, the accurate estimate of CO2 adsorption by different MOFs is obtained by briefly employing the artificial intelligence concept tools.

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“…However, the remaining disadvantages include large energy consumption for solvent regeneration, corrosion of process equipment, and continuous make‐up of monoethanolamine (MEA) during the operation due to its high volatility and low thermal stability. Therefore, various alternative solvents incorporating NH 3 , polyethylene glycol, piperazine, and so on have been proposed to overcome the disadvantages of MEA‐based absorbent 16–20 …”

Section: Introductionmentioning

confidence: 99%

Comparison of CO₂ absorption performance between methyl‐di‐ ethanolamine and tri‐ethanolamine solution systems and its analysis in terms of amine molecules

Han

Wee

2021

Greenhouse Gases

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The present study analyzes the features of chemical CO2 absorption using tertiary amine solvents by comparing the absorption performance and electrical properties between methyl‐di‐ethanolamine (MDEA) and tri‐ethanolamine (TEA) systems. The results are mostly attributed to the different structures of the two amine molecules. Absorption performance is significantly affected by the molecular structure and water concentration in the amine solution. The absorption performance of the MDEA system is better than that of TEA, which is basically ascribed to the MDEA molecule's more asymmetric and irregular shape than that of TEA, which thus enhances the catalytic activity of MDEA and the reactivity of the −OH moiety in water. The difference of electrical properties such as ionic conductivities (ICs) of the two protonated amines and real ionic activity coefficients (RIAC) between the two systems might be also caused by the different molecular structures of the two amines. The IC of protonated MDEA is estimated to be 23.70% higher than that of protonated TEA, because of the higher ionic mobility and charge density of MDEA. The RIAC of the MDEA system is higher than that of TEA, which is explained by the different physicochemical interactions between the molecules in the two systems. Since water is one of the reactants in the absorption, its concentration in solution significantly affects the results of the systems. In addition, the absorption using tertiary amine is a base‐catalyzed reaction, and thus variations of the overall absorption rate follow a parabolic curve. Therefore, it is maximized to be 14.2 and 9.8 mmol CO2·L−1·min−1 in the 15 wt% MDEA and TEA solutions, respectively. Finally, the correlated equations for in situ estimation of chemical absorption capacity by electrical conductivity measured during the absorption are derived in the two systems. © 2021 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons, Ltd.

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Efficient hybrid modeling of CO2 absorption in aqueous solution of piperazine: Applications to energy and environment

Cited by 64 publications

References 82 publications

Role of solvents in CO2 capture processes: The review of selection and design methods

Role of solvents in CO2 capture processes: The review of selection and design methods

Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach

Comparison of CO₂ absorption performance between methyl‐di‐ ethanolamine and tri‐ethanolamine solution systems and its analysis in terms of amine molecules

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Efficient hybrid modeling of CO2 absorption in aqueous solution of piperazine: Applications to energy and environment

Cited by 64 publications

References 82 publications

Role of solvents in CO2 capture processes: The review of selection and design methods

Role of solvents in CO2 capture processes: The review of selection and design methods

Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach

Comparison of CO2 absorption performance between methyl‐di‐ ethanolamine and tri‐ethanolamine solution systems and its analysis in terms of amine molecules

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Product

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Comparison of CO₂ absorption performance between methyl‐di‐ ethanolamine and tri‐ethanolamine solution systems and its analysis in terms of amine molecules