Related papers: Decoupling Precipitation and Surface Complexation …
Ionic-liquid based acidic aqueous biphasic solutions (AcABS) recently offered a breakthrough in the field of metal recycling. Indeed, the mixture of tributyltetradecylphosphonium chloride (P$_{44414}$Cl) and acid with water content larger…
Water isotope separation, specifically separating heavy from light water, is a socially significant issue due to the usage of heavy water in applications such as nuclear magnetic resonance, nuclear power, and spectroscopy. Separation of…
Density functional theory is used to investigate the interactions between a layer of magnesium hydroxide, Mg(OH)2, the magnesium (Mg) surface Mg(0001), and the three amino acids glycine, proline and glutamine. The aim is to improve the…
Water is a polar solvent and hence supports the bulk dissociation of itself and its solutes into ions, and the re-association of these ions into neutral molecules in a dynamic equilibrium, e.g., ${\rm H_2O_2}\leftrightharpoons {\rm…
Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally-efficient continuum solvation methodologies. We develop a model for the…
One of the key risks for a Carbon Capture Storage (CCS) is injectivity decline. Evaporation of the connate brine in near-wellbore region during CO2 injection may result in drying-up the rock yielding the mobilisation and migration of clay…
Microbially Induced Carbonate Precipitation (MICP) is a biocementation technique that modifies the hydraulic and mechanical properties of porous materials using bacterial solutions. This study evaluates the efficiency of various MICP…
We use transient absorption spectroscopy to monitor the ionization and dissociation products following two-photon excitation of pure liquid water. The two decay mechanisms occur with similar yield for an excitation energy of 9.3 eV, whereas…
Water autoionization plays a critical role in determining pH and properties of various chemical and biological processes occurring in the water mediated environment. The strikingly unsymmetrical potential energy surface of the dissociation…
Metal coordination is ubiquitous in Nature and central in many applications ranging from nanotechnology to catalysis and environmental chemistry. Complex formation results from the subtle interplay between different thermodynamic, kinetic,…
Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other emerging technologies. In this study, we used density…
The occurrence of polar pesticides in sediments has not been extensively investigated because of their relatively poor hydrophobicity and apparently less persistence in the environment. However, their continuous release into the aquatic…
The management of the anthropogenic water cycle must ensure the preservation of the quality and quantity of water resources and their careful allocation to the different uses. Protection of water resources requires the control of pollution…
Using a combination of dielectric spectroscopy and solid-state deuteron NMR, the hydration water dynamics of connective tissue proteins is studied at sub-ambient temperatures. In this range, the water dynamics follows an Arrhenius law. A…
Liquid-liquid phase separation has emerged as one of the important paradigms in the chemical physics as well as biophysics of charged macromolecular systems. We elucidate an equilibrium phase separation mechanism based on charge regulation,…
Formation evaluation of unconventional reservoirs is challenging due to the coexistence of different phases such as kerogen, bitumen, movable and bound light hydrocarbon and water. Current low-frequency (0.05 T) nuclear magnetic resonance…
Magnesium hydride (MgH$_2$) has been widely studied for effective hydrogen storage. However, its bulk desorption temperature (553 K) is deemed too high for practical applications. Besides doping, a strategy to decrease such reaction energy…
Experiments and numerical simulations were carried out in order to contribute to a better understanding and prediction of high-pressure injection into a gaseous environment. Specifically, the focus was put on the phase separation processes…
Depopulation of the Mn$^{2+}$ state in ZnO:Mn upon illumination, monitored by quenching of the Mn$^{2+}$ EPR signal intensity, was observed at temperatures below 80~K. Mn$^{2+}$ photoquenching is shown to result from the Mn$^{2+}$ $\to$…
Some super Earths and mini Neptunes will likely have thick atmospheres that are not H2-dominated. We have developed a photochemistry-thermochemistry kinetic-transport model for exploring the compositions of thick atmospheres on super Earths…