Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network

M Mohan, O Demerdash, BA Simmons, JC Smith… - Green …, 2023 - pubs.rsc.org
Carbon dioxide (CO2) emissions from fossil fuel combustion are a significant source of
greenhouse gas, contributing in a major way to global warming and climate change. Carbon …

Predicting the CO2 Capture Capability of Deep Eutectic Solvents and Screening over 1000 of their Combinations Using Machine Learning

T Lemaoui, A Boublia, S Lemaoui… - ACS Sustainable …, 2023 - ACS Publications
Deep eutectic solvents (DESs) are a new class of environmentally friendly solvents that have
attracted the attention of many researchers. Since DESs have several practical applications …

[HTML][HTML] Screening Deep Eutectic Solvents for CO2 Capture With COSMO-RS

Y Liu, H Yu, Y Sun, S Zeng, X Zhang, Y Nie… - Frontiers in …, 2020 - frontiersin.org
In this work, 502 experimental data for CO2 solubilities and 132 for Henry's constants of CO2
in DESs were comprehensively summarized from literatures and used for further verification …

[HTML][HTML] Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents

I Salahshoori, A Baghban, A Yazdanbakhsh - RSC advances, 2023 - pubs.rsc.org
In recent years, deep eutectic solvents (DESs) have garnered considerable attention for their
potential in carbon capture and utilization processes. Predicting the carbon dioxide (CO2) …

[HTML][HTML] Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors

J Wang, Z Song, L Chen, T Xu, L Deng, Z Qi - Green Chemical Engineering, 2021 - Elsevier
This work presents the development of molecular-based mathematical model for the
prediction of CO 2 solubility in deep eutectic solvents (DESs). First, a comprehensive …

Designing deep eutectic solvents for efficient CO2 capture: A data-driven screening approach

DM Makarov, YA Fadeeva, VA Golubev… - Separation and …, 2023 - Elsevier
The continuous increase in carbon dioxide emissions into the atmosphere necessitates the
exploration of new, efficient, and environmentally friendly systems for CO 2 capture. Deep …

Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study

AK Halder, P Ambure, Y Perez-Castillo… - Journal of CO2 …, 2022 - Elsevier
Carbon dioxide capture and storage is one of the primary mitigation approaches endorsed
by current global climate change policies, since it is the largest contributing gas to the …

[HTML][HTML] Ionic liquids/deep eutectic solvents for CO2 capture: Reviewing and evaluating

Y Liu, Z Dai, Z Zhang, S Zeng, F Li, X Zhang… - Green Energy & …, 2021 - Elsevier
The CO 2 solubilities (including CO 2 Henry's constant) in physical-and chemical-based
ILs/DESs and the COSMO-RS models describing these properties were comprehensively …

Comprehensive Evaluation of a Deep Eutectic Solvent Based CO2 Capture Process through Experiment and Simulation

F Luo, X Liu, S Chen, Y Song, X Yi, C Xue… - ACS Sustainable …, 2021 - ACS Publications
As an emerging green and sustainable solvent, a deep eutectic solvent (DES) applied to the
carbon capture process is considered to be a promising absorbent. This work aims to …

Development of quantitative structure-property relationship to predict the viscosity of deep eutectic solvent for CO2 capture using molecular descriptor

KA Kurnia, M Zunita, JAP Coutinho, IG Wenten… - Journal of Molecular …, 2022 - Elsevier
Transport properties of deep eutectic solvent (DES), such as viscosity, are essential for
selecting and designing processes based on these “green solvents” for CO 2 capture and …