Bulk and interfacial properties of brine or alkane in the presence of carbon dioxide, methane, and their mixture

AK Narayanan Nair… - Industrial & …, 2022 - ACS Publications
We present an overview of the molecular simulations performed to understand the two-
phase behavior of brine or alkane in the presence of CH4, CO2, and their mixture at …

[HTML][HTML] Supercritical CO2 sterilization: An effective treatment to reprocess FFP3 face masks and to reduce waste during COVID-19 pandemic

V Santos-Rosales, C López-Iglesias… - Science of the Total …, 2022 - Elsevier
The outbreak of COVID-19 pandemic unveiled an unprecedented scarcity of personal
protective equipment (PPE) available in sanitary premises and for the population worldwide …

Models for the solubility calculation of a CO2/polymer system: A review

M Li, J Zhang, Y Zou, F Wang, B Chen, L Guan… - Materials Today …, 2020 - Elsevier
Multiscale models are modeled at different time and spatial scales to achieve the spans
among the micro-, meso-, and macroscales. The multiscale study of solubility is the most …

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

I Ushiki, H Kawashima, S Kihara… - The Journal of Supercritical …, 2022 - Elsevier
A quantitative understanding of the solubility and diffusivity of CO 2 in polycaprolactone
(PCL) is crucial for designing PCL manufacturing processes that employ CO 2. Both …

CO2 sorption of elastomer poly (ionic liquid) s with imidazolium cations having different alkyl chains: Structure-morphology-property relationships and thermodynamic …

AB Bogoya, C Arnal-Herault, D Barth, F Mutelet… - Polymer, 2024 - Elsevier
In this work related to Carbon Capture and Storage (CCS), the CO 2 sorption capacities of a
new family of elastomer poly (ionic liquid) s (PILs) with imidazolium cations having different …

Predicting the solubilities of metal acetylacetonates in supercritical CO2: Thermodynamic approach using PC-SAFT

I Ushiki, R Fujimitsu, S Takishima - The Journal of Supercritical Fluids, 2020 - Elsevier
Solubilities of metal precursors in supercritical carbon dioxide (scCO 2) are needed to
effectively design the scCO 2-based deposition method. Herein, a method for predicting the …

Neural network modeling based double-population chaotic accelerated particle swarm optimization and diffusion theory for solubility prediction

M Li, S Lian, F Wang, Y Zhou, B Chen, L Guan… - … Research and Design, 2020 - Elsevier
Solubility is as a key chemical and physical property. Solubility prediction methods are
applied in diverse fields including preparation synthesis and modifications of materials. To …

Modeling the Solubility of Ferrocene in Supercritical CO2 via PC-SAFT Using Solubilities Data Measured in Organic Solvents

I Ushiki, R Fujimitsu, S Takishima - Journal of Chemical …, 2023 - Taylor & Francis
Developing a modeling method for determining the solubilities of metal complexes in
supercritical CO2 is crucial for designing an effective supercritical CO2-based deposition …

Predicting solubility and swelling ratio of blowing agents in rubbery polymers using PC-SAFT Equation of State

Z Feng, SR Panuganti, WG Chapman - Chemical Engineering Science, 2018 - Elsevier
Abstract The PC-SAFT Equation of State is applied here to study polymer–blowing agent
phase equilibrium in various systems of industrial interest. Where required, PC-SAFT …

Thermodynamic modeling of the solubility of acetylacetonate-type metal precursors in supercritical carbon dioxide using the PC-SAFT equation of state

I Ushiki, Y Sato, S Takishima… - Journal of Chemical …, 2019 - jstage.jst.go.jp
Ikuo Ushiki1, Yoshiyuki Sato2, Shigeki Takishima1 and Hiroshi Inomata2 1 epartment of
Chemical Engineering, Graduate School of Engineering, Hiroshima University, 1-4-1 …