Solubility and diffusivity of supercritical CO2 for polycaprolactone in its molten state: Measurement and modeling using PC-SAFT and free volume theory

Ushiki, Ikuo; Kawashima, Hirotaka; Kihara, Sorin; Takishima, Shigeki

doi:10.1016/j.supflu.2021.105499

Cited by 18 publications

(4 citation statements)

References 57 publications

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“…The dataset comprises 14 808 experimental or derived data points from 257 sources, 17,64–318 featuring 102 polymers and 79 solvents/gases, which together form 497 polymer–gas pairs. A total of 256 unique chemical compounds were considered, accounting for different repeating units of the same polymer, with 2462 unique conformers.…”

Section: Methodsmentioning

confidence: 99%

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Gromov

2024

Polym. Chem.

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Section: Methodsmentioning

confidence: 99%

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Gromov

2024

Polym. Chem.

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“…Supercritical CO 2 (scCO 2 ) has seen widespread usage as a solvent in numerous industrial processes, notably in foaming, − creating porous materials, ,− extraction, , and manufacturing electronic devices. , This is largely due to its appealing properties, including moderate critical coordinates (with a critical temperature of T c = 304.12 K), reduced viscosity, and enhanced ability to permeate microstructures. The use of supercritical CO 2 for regenerating adsorbents leverages these qualities; its notable diffusivity aids in infiltrating the adsorbent’s pores, while its lower critical temperature and minimal interfacial tension help in preserving the pore framework of activated carbon. − As a result, employing supercritical CO 2 for regenerating activated carbon presents a practical alternative to the conventional thermal method.…”

Section: Introductionmentioning

confidence: 99%

Adsorption Equilibrium Data of Hexyl Acetate on Activated Carbon under Supercritical CO₂ Conditions

Ushiki,

Matsumoto

2024

J. Chem. Eng. Data

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The regeneration of spent activated carbon that captures alkyl acetate, a major volatile organic compound (VOC) in the printing field, is extremely important for economic and environmental implications. The use of supercritical CO 2 avoids the high heat associated with conventional thermal methods that can degrade the carbon. However, existing research on this is limited in scope, and more comprehensive studies are needed to fully understand the technology. In this study, a fixed-bed adsorption method was used to investigate the adsorption of hexyl acetate on activated carbon in supercritical CO 2 at T = (313−353) K and P = (10−20) MPa. The results are consistent with previous studies on similar VOCs and show the influence of temperature and pressure on adsorption equilibria. Hexyl acetate showed higher adsorption than propyl acetate and ethyl acetate, which may be due to its different volatility in supercritical CO 2 and its different affinity for the absorbent used. The analysis using the Dubinin−Astakhov (DA) equation offers a quantitative understanding of how supercritical CO 2 density and VOC molecular size influence adsorption equilibria. This insight is essential for developing an efficient and eco-friendly regeneration method for the printing industry utilizing supercritical CO 2 .

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“…Their study also showed that the errors of CO 2 solubility in the oil-based and water-based drilling fluids are 6.75% and 3.47%, respectively. Besides, Ushiki et al 38 evaluated CO 2 solubility and diffusivity in polycaprolactone (PCL) performing perturbed-chain statistical associating fluid theory (PC-SAFT) and free volume methods. According to their work, CO 2 solubility was recognized to conform with Henry’s law, and the PC-SAFT EoS sufficiently described the solubility.…”

Section: Introductionmentioning

confidence: 99%

On the evaluation of the carbon dioxide solubility in polymers using gene expression programming

Amiri-Ramsheh

Amar

Shateri

et al. 2023

Sci Rep

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Evaluation, prediction, and measurement of carbon dioxide (CO2) solubility in different polymers are crucial for engineers in various chemical applications, such as extraction and generation of novel materials. In this paper, correlations based on gene expression programming (GEP) were generated to predict the value of carbon dioxide solubility in three polymers. Results showed that the generated correlations could represent an outstanding efficiency and provide predictions for carbon dioxide solubility with satisfactory average absolute relative errors of 9.71%, 5.87%, and 1.63% for polystyrene (PS), polybutylene succinate-co-adipate (PBSA), and polybutylene succinate (PBS), respectively. Trend analysis based on Henry’s law illustrated that increasing pressure and decreasing temperature lead to an increase in carbon dioxide solubility. Finally, outlier discovery was applied using the leverage approach to detect the suspected data points. The outlier detection demonstrated the statistical validity of the developed correlations. William’s plot of three generated correlations showed that all of the data points are located in the valid zone except one point for PBS polymer and three points for PS polymer.

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Solubility and diffusivity of supercritical CO2 for polycaprolactone in its molten state: Measurement and modeling using PC-SAFT and free volume theory

Cited by 18 publications

References 57 publications

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Adsorption Equilibrium Data of Hexyl Acetate on Activated Carbon under Supercritical CO₂ Conditions

On the evaluation of the carbon dioxide solubility in polymers using gene expression programming

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Solubility and diffusivity of supercritical CO2 for polycaprolactone in its molten state: Measurement and modeling using PC-SAFT and free volume theory

Cited by 18 publications

References 57 publications

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Adsorption Equilibrium Data of Hexyl Acetate on Activated Carbon under Supercritical CO2 Conditions

On the evaluation of the carbon dioxide solubility in polymers using gene expression programming

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Product

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Adsorption Equilibrium Data of Hexyl Acetate on Activated Carbon under Supercritical CO₂ Conditions