Uncovering Local Correlations in Polymer Electrolytes by X-ray Scattering and Molecular Dynamics Simulations

WS Loo, C Fang, NP Balsara, R Wang - Macromolecules, 2021 - ACS Publications
Understanding the distribution of ionic species in electrolytes is important for predicting the
ion-transport properties. Here, a quantitative analysis of wide-angle X-ray scattering (WAXS) …

The Statistical Mechanics of Solution-Phase Nucleation: CaCO Revisited

EO Fetisov, MD Baer, JI Siepmann… - … of Molecular Modeling …, 2021 - Springer
Providing a molecular level description of amorphous CaCO _3 3 nucleation in aqueous
solutions necessitates the use of theory and simulation in addition to a direct connection to …