The barrier height to cation- and anion-induced nucleation to produce water and methanol droplets are calculated by means of an umbrella-sampling Monte Carlo method. The computer simulation corroborates the century-old finding of Wilson that the anion is a better nucleator to produce water droplets than the cation having the same magnitude of charge, even without the presence of external electr...

In this work, we prepared new biocompatible N-alkyl cholinium-based ionic liquids to be used as cosolvents improve the solubility of poorly water-soluble drugs, namely, sodium diclofenac and paracetamol. set liquids, intend understand effect increasing asymmetry liquid cation/anion by growing length one alkyl chains attached nitrogen center/sulfonate center on dissolution capacity liquid. The a...

In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O-H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)-H⋯O(sulfonate) hydrogen bond with the anion. These cation-anion pairs inter-act through duple...

Electrically facilitated molecular transport in an ion-exchange membrane (Nafion, 1100 equiv wt) has been studied using a scanning electrochemical microscope. The transport rates of ferrocenylmethyltrimethylammonium (a cation), acetaminophen (a neutral molecule), and ascorbate (an anion) through approximately 120-micron-thick membranes were measured as a function of the iontophoretic current pa...

We describe the syntheses and crystal structures of two mol-ecular salts containing the 1,1-di-methyl-hydrazinium cation, namely 1,1-di-methyl-hydrazin-1-ium bromide, C2H9N2 (+)·Br(-), (I), and 2,2-di-methyl-hydrazin-1-ium di-hydrogen phosphite, C2H9N2 (+)·H2PO3 (-), (II). In (I), the cation is protonated at the methyl-ated N atom and N-H⋯Br hydrogen bonds generate [010] chains in the crystal. ...

Phosphonium ionic liquids (ILs) have various uses, including as environmentally benign lubricants and lubricant additives. The properties behavior of these ILs depend on their chemical composition, i.e., cation anion combination, the operating conditions. One approach to understanding relationships between conditions, lubricant-relevant is classical molecular dynamics simulation. Although this ...

Isothermal and dynamic methodologies were used to study the thermal degradation of 8 novel fatty acid anion-based ionic liquids (FAILs): methyltrioctylammonium hexanoate [N8,8,8,1][C6:0], octanoate [N8,8,8,1][C8:0], tetrahexylammonium [N6,6,6,6][C8:0], laurate [N8,8,8,1][C12:0], palmitate [N8,8,8,1][C16:0], [N6,6,6,6][C16:0], stearate [N8,8,8,1][C18:0] oleate [N8,8,8,1][C18:1]. The stability th...

Organic cation (DMPI) intercalated anode and AlCl4 anion cathode for high voltage dual ion battery