Multifunctional mulch films with robust mechanical behaviors of biopolymer-based
biodegradable mulch materials were highly demanded in promoting the development of …

In this study, gemini surfactants and binary surfactant mixtures were used in order to
enhance the dewatering performance of fine size coal particles. Compared to three single …

Cationic Malachite green has been identified as a candidate for the endocrine disruptive
compound found in the environment. In this study, the mechanism and isotherm modeling of …

The basicity constant, or pKb, is an intrinsic physical property of bases that gives a measure
of its proton affinity in macroscopic environments. While the pKb is typically defined in …

Grinding aids and hydration accelerators (GA-HAs) are important admixtures for reducing
energy consumption and enhancing cement performance, however, widely used …

First principles molecular dynamics simulations have been utilized to study the spectral
properties of the protic ionic liquid, methylammonium formate (MAF). All simulations were …

We report the vibrational dynamics of amide modes of N-methylformamide (NMF), N-
methylacetamide (NMA), and N, N-dimethylacetamide (DMA) in water using first principles …

This perspective summarizes the recent advances in modeling ionic liquids to highlight
structural as well as dynamical aspects and spectroscopic investigations in complex ionic …

In this study, we performed QM/MM molecular dynamics simulations of a simple
biomolecular model, N-methylacetamide molecule, in five different polar and non-polar …