The acidity of aqueous atmospheric solutions is a key parameter driving both the partitioning of semi-volatile acidic and basic trace gases and their aqueous-phase chemistry. In addition, the acidity of atmospheric aqueous phases, e.g., deliquesced aerosol ...
In a recent article entitled "Solubility Parameter of Carbon Dioxide-an Enigma"[1], Marcus reported the literature values for the solubility parameter of liquid carbon dioxide (CO2) at 298 K with discrepancies as large as 200%. An analogous article on ioni ...
We studied and compared the hydrodeoxygenation (HDO) and depolymerization of aldehyde-stabilized lignin and 4-propylguaiacol (PG), a model lignin monomer. We demonstrated by liquid phase adsorption that PG HDO catalyzed by Ru/C can be achieved in isooctane ...
Water activity and related thermodynamic properties are calculated for several aqueous solutions using equilibrium molecular dynamics in conjunction with the recent extension of the Kirkwood-Buff (KB) theory for closed systems. The general applicability of ...
“Switchable water” is an aqueous solution containing a water‐soluble amine additive that exhibits CO2‐switchable properties, such as large changes in ionic strength, by forming an ammonium bicarbonate salt. Switchable water has been used to reversibly “sal ...
The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities ...
The Materials Genome Approach (MGA) aims to accelerate development of new materials by incorporating computational and data-driven approaches to reduce the cost of identification of optimal structures for a given application. Here, we use the MGA to guide ...
In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
Twelve Pt(II) complexes with cis-PtP2S2 pharmacophores (where P-2 refers to two monodentate or one bidentate phosphane ligand and S-2 is a dithiolato ligand) were prepared, characterized and evaluated as potential antiproliferative agents. The various comp ...
An original selective and quantitative detection method for direct access to reactive oxygen species (ROS) generated in near-neutral aqueous solutions during transient electrochemical experiments is described herein. Several chemiluminescent probes, which ...
