Molecular dynamics (MD) simulation of the green ionic liquid [C₄mim][PF₆] mixed with
polar benzonitrile (BNZ) solvent provides detailed insights into their structural and dynamic …

Cluster fragmentation subjected to a high-voltage electric field may play an important role in
controlling the novel ionic liquid (IL) electrospray propulsion but has received little attention …

In this work, we present coordinated molecular dynamics, ion cluster acceleration, and
retarding potential analysis simulations to determine cluster fragmentation behavior in a …

Functionalization of electrodes with clusters of hydrophobic molecules may improve the
energy efficiency and selectivity of electrochemical separations by modulating the …

The integration of chemical absorption of CO 2 and in situ transformation to highly valuable
chemicals is a promising process as an alternative toward fossil fuels. Here, three …

Ionic liquid (IL) development efforts have focused on achieving desired properties via tuning
of the IL through variation of the cations and anions. However, works geared toward a …

Ionic liquids (ILs) exhibit unique properties that have led to their development and
widespread use for a variety of applications. Development efforts have generally focused on …

Ionic liquids are useful for many applications and the structural diversity as a class is ever
increasing. Knowledge of gas-phase dissociation pathways can inform analytical method …

Ionic liquids are an interesting class of compounds, with distinct properties compared to both
high melting point crystalline ionic compounds and typical molecular liquids. Given such …

Imidazolium-based cations and the hexafluorophosphate anion are among the most
commonly used ionic liquids (ILs). Yet, the nature and strength of the intrinsic cation–anion …