Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications

Z Song, J Chen, J Cheng, G Chen, Z Qi - Chemical Reviews, 2023 - ACS Publications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

Combining machine learning with physical knowledge in thermodynamic modeling of fluid mixtures

F Jirasek, H Hasse - Annual Review of Chemical and …, 2023 - annualreviews.org
Thermophysical properties of fluid mixtures are important in many fields of science and
engineering. However, experimental data are scarce in this field, so prediction methods are …

Molecular-based artificial neural network for predicting the electrical conductivity of deep eutectic solvents

A Boublia, T Lemaoui, FA Hatab, AS Darwish… - Journal of Molecular …, 2022 - Elsevier
Due to their unique features, deep eutectic solvents (DESs) are well-known as promising
and environmentally friendly solvents. Their use in various processes has recently become …

[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 …

Data-driven model for ternary-blend concrete compressive strength prediction using machine learning approach

BA Salami, T Olayiwola, TA Oyehan, IA Raji - Construction and Building …, 2021 - Elsevier
Ternary-blend concrete is a complex composite material, and the nonlinearity in its
compressive strength behavior is unquestionable. Entirely many models have been …

Insights into modeling refractive index of ionic liquids using chemical structure-based machine learning methods

A Esmaeili, H Hekmatmehr, S Atashrouz, SA Madani… - Scientific Reports, 2023 - nature.com
Ionic liquids (ILs) have drawn much attention due to their extensive applications and
environment-friendly nature. Refractive index prediction is valuable for ILs quality control …

Utilizing artificial intelligence techniques for modeling minimum miscibility pressure in carbon capture and utilization processes: a comprehensive review and …

MN Amar, H Djema, K Ourabah, FM Alqahtani… - Energy & …, 2024 - ACS Publications
The carbon dioxide (CO2) based enhanced oil recovery methods (EORs) are considered
among the promising techniques for increasing the recovery factor from mature oil reservoirs …

Pressing matter: why are ionic liquids so viscous?

F Philippi, D Rauber, KL Eliasen, N Bouscharain… - Chemical …, 2022 - pubs.rsc.org
Room temperature ionic liquids are considered to have huge potential for practical
applications such as batteries. However, their high viscosity presents a significant challenge …

Modeling resilient modulus of subgrade soils using LSSVM optimized with swarm intelligence algorithms

A Azam, A Bardhan, MR Kaloop, P Samui, F Alanazi… - Scientific Reports, 2022 - nature.com
Resilient modulus (Mr) of subgrade soils is one of the crucial inputs in pavement structural
design methods. However, the spatial variability of soil properties and the nature of test …

Carbon capture using ionic liquids: An explicit data driven model for carbon (IV) Oxide solubility estimation

OE Agwu, S Alatefi, A Alkouh, RA Azim… - Journal of Cleaner …, 2024 - Elsevier
In this study, carbon dioxide (CO 2) solubility in 20 different ionic liquids (ILs) belonging to
various chemical families was estimated across a broad range of pressures (0.0098–72.24 …