Transferability and accuracy of ionic liquid simulations with equivariant machine learning interatomic potentials
Ionic liquids (ILs) are an exciting class of electrolytes finding applications in many areas from
energy storage to solvents, where they have been touted as “designer solvents” as they can …
energy storage to solvents, where they have been touted as “designer solvents” as they can …
[HTML][HTML] Recent Progress and Future Perspectives of Ionic Liquid-Based Carbon Dioxide Capture and Conversion
A Zafar, K Matuszek, DR MacFarlane… - Green Energy & …, 2024 - Elsevier
Carbon dioxide accounts for about 80 percent of greenhouse emissions and the increasing
CO 2 emission has been identified as a critical environmental issue. On the other hand, CO …
CO 2 emission has been identified as a critical environmental issue. On the other hand, CO …
Understanding the liquid structure in mixtures of ionic liquids with semiperfluoroalkyl or alkyl chains
NS Elstone, K Shimizu, EV Shaw… - The Journal of …, 2023 - ACS Publications
By mixing ionic liquids (ILs), it is possible to fine-tune their bulk and interfacial structure. This
alters their physical properties and solvation behavior and is a simple way to prepare a …
alters their physical properties and solvation behavior and is a simple way to prepare a …
[HTML][HTML] Hydrophobic Deep eutectic Solvents based on cineole and organic acids
JL Trenzado, C Benito, M Atilhan, S Aparicio - Journal of Molecular Liquids, 2023 - Elsevier
Abstract The hydrophobic Natural Deep Eutectic Solvent formed by the combination of
cineole and decanoic acid (capric acid) was studied using a combined experimental and …
cineole and decanoic acid (capric acid) was studied using a combined experimental and …
Microemulsion system formed with new piperazinium-based surface-active ionic liquid
B Wang, Z Zhu, J Yin, X Lu - Journal of Molecular Liquids, 2023 - Elsevier
The intensive use of ionic liquid (IL) in various researches and applications induces the
imperative need of specific functional ILs. Present work introduces a novel piperazinium …
imperative need of specific functional ILs. Present work introduces a novel piperazinium …
Generalizable Synthesis of Highly Fluorinated Ionic Liquids
MB Wenny, MV Walter, AH Slavney… - The Journal of Physical …, 2023 - ACS Publications
The unique chemistry of fluorocarbons (in particular, their weak intermolecular interactions
and high degree of intrinsic free volume) makes them promising building blocks for ionic …
and high degree of intrinsic free volume) makes them promising building blocks for ionic …
Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
J Eichenlaub, K Baran, M Śmiechowski… - Separation and …, 2023 - Elsevier
Understanding the mechanisms underlying the carbon dioxide (CO 2) absorption in ionic
liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the …
liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the …
Unravelling free volume in branched-cation ionic liquids based on silicon
E Bakis, K Goloviznina, ICM Vaz, D Sloboda… - Chemical …, 2022 - pubs.rsc.org
The branching of ionic liquid cation sidechains utilizing silicon as the backbone was
explored and it was found that this structural feature leads to fluids with remarkably low …
explored and it was found that this structural feature leads to fluids with remarkably low …
Synthesis and Characterization of Fluorinated Ionic Liquids and Their Application in Hydrofluorocarbon Gas Uptake
R Pulukkody, KR Baca, SN Lak… - Industrial & …, 2024 - ACS Publications
This study reports the synthesis and comprehensive characterization of five fluorinated ionic
liquids (FILs), each composed of an imidazolium cation of varied fluoroalkyl chain lengths …
liquids (FILs), each composed of an imidazolium cation of varied fluoroalkyl chain lengths …
[HTML][HTML] Novel Oxygen-and Curcumin-Laden Ionic Liquid@ Silica Nanocapsules for Enhanced Antimicrobial Photodynamic Therapy
The efficiency of photodynamic therapy is often limited by the scarcity of oxygen at the target
site. To address this problem, this work proposes the development of a new nanosystem for …
site. To address this problem, this work proposes the development of a new nanosystem for …