Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents,
appearing in a broad range of applications, such as nanotechnology, electrochemistry …

In this study, Pt 3-cluster-doped SnS 2 was first proposed as the adsorption and sensing
materials of typical SF 6 decomposed gases (SO 2, SOF 2, SO 2 F 2 and H 2 S). Based the …

We report a series of deep learning models to solve complex forward and inverse design
problems in molecular modeling and design. Using both diffusion models inspired by …

Deep eutectic solvents (DESs) composed by amino acids (L-arginine, L-proline, L-alanine)
as the hydrogen bond acceptors (HBAs) and carboxylic acids (formic acid, acetic acid, lactic …

High-performance sensors for toxic gases have been the goal of research in the industry. In
this paper, the adsorption of seven toxic target gases, NO, NO 2, NH 3, H 2 S, CO, CH 4 and …

The feasibility of an industrial-scale subcritical water (SW) system by scaling up from
laboratory to pilot scale in a discontinuous operation mode has been investigated regarding …

Molecular dynamics simulations were performed to investigate the performance of three
deep eutectic solvents (DESs) in the separation of acid gases from natural gas. To evaluate …

We use molecular dynamics (MD) simulations to examine the structural and dynamical
properties of deep eutectic solvents (DESs)-based boron nitride nanotube (BNNT) nanofluid …

Nanofluid has gained vast attention as a novel heat transfer working fluid owing to its
superiority in thermal conductivity and rheological properties. Meanwhile, the liquid range …

Ionic liquids (ILs) based liquid-liquid extraction (LLE) is one of the most efficient and green
techniques for mining Li from salt lake brines, however, the extraction mechanism still needs …