Publications associées à Force field for halide and alkali ions in water based on single-ion and ion-pair thermodynamic properties for a wide range of concentrations

Publications associées (9)

Recycling rare earth metals from luminescent fibers by solvent extraction

Christian Ludwig, Ajay Bhagwan Patil, Ayush Agarwal, Laura Torrent Fabrega

Rare earth elements (REEs) are known for their specialized optical and electronic properties that have led to their use in a wide range of applications, such as luminescent fibers employed in security papers (e.g., bank notes). Most of the security documen ...

Elsevier BV2025

Fate of Cadmium and Lead Nitrates in Water

Wanda Andreoni

Cadmium, lead, and the nitrate (NO3-) ions rank among the most hazardous water pollutants. Natural sources of these species include cadmium and lead nitrates, which are highly soluble in water. Experimental data on the corresponding aqueous solutions are s ...

American Chemical Society (ACS)2025

Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist

David Lyndon Emsley, Manuel Cordova, Pinelopi Moutzouri, Daria Torodii, Jacob Brian Holmes

Amorphous formulations are increasingly used in the pharmaceutical industry due to their increased solubility, but their structural characterization at atomic-level resolution remains extremely challenging. Here, we characterize the complete atomic-level s ...

American Chemical Society (ACS)2025

Dielectric Properties of Aqueous Electrolytes at the Nanoscale

Maximilian Becker, Philip Robin Loche

Despite the ubiquity of aqueous electrolytes, the effect of salt on water organization remains controversial. We introduce a nonlocal and nonlinear field theory for the nanoscale polarization of ions and water and derive the electrolyte dielectric response ...

American Physical Society (APS)2025

Fundamental Thermodynamic Constraints on Symmetry Breaking in Biochemical Systems

Shiling Liang

Living systems operate far from thermodynamic equilibrium, and understanding the fundamental constraints imposed by thermodynamic laws is crucial for unraveling the principles that govern life. This thesis investigates thermodynamic constraints on symmetry ...

EPFL2024

Early bird or night owl? Controlling the ultrafast photodynamics of triphenylamine substituted 2,2′:6′,2′′-terpyridine

Majed Chergui, Etienne Christophe Socie, Malte Oppermann, Oliviero Cannelli

Controlling the ultrafast photodynamics of metal-free organic molecules has great potential for technological applications. In this work, we use solvent polarity and viscosity as "external knobs" to govern the photodynamics of an electron-donating derivati ...

Royal Soc Chemistry2024

Role of Na2CO3 as Nucleation Seeds to Accelerate the CO2 Uptake Kinetics of MgO-Based Sorbents

Wendy Lee Queen

There is an urgent need for inexpensive, functional materials that can capture and release CO2 under industrial conditions. In this context, MgO is a highly promising, earth-abundant CO2 sorbent. However, despite its favorable carbonation thermodynamics an ...

2024

The redox aspects of lithium-ion batteries

Hubert Girault

This article aims to present the redox aspects of lithium-ion batteries both from a thermodynamic and from a conductivity viewpoint. We first recall the basic definitions of the electrochemical potential of the electron, and of the Fermi level for a redox ...

ROYAL SOC CHEMISTRY2024

Linear Solvation-energy Relationships (lser) and Equation-of-state Thermodynamics: on the Extraction of Thermodynamic Information From the Lser Database

Vassily Hatzimanikatis

There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being a classical example. The LSER, or Abraham solvation parameter model, is a very successful predictive tool in a variety of applications in the ...

MDPI2023