New combination of technologies gives insights into one of the most fundamental chemical reactions
Researchers brought together theoretical and experimental approaches to learn more about the liquid molecules surrounding ions. The knowledge of the structure
formed by the ion and the first layer of surrounding solvent molecules has broad applications, from understanding how pollutants move in the soil to how neurotransmitters work in the brain.
Ions in a liquid are like celebrities at a movie opening—
surrounded by fans who jostle each other to get as close as
the velvet ropes around the red carpet will allow. So it is
with ions in water or other liquids or solvents.
Northwest National Laboratory and Argonne National
Laboratory, researchers brought together an unusual
combination of theoretical and experimental approaches to
determine the number, relative positions and motions of the
liquid molecules surrounding ions. This is an initial step in
developing fundamental principles that explain how ions
move in complex systems.
By combining two techniques that are not commonly
used together, the team created simulations, or short
video clips, that show the location of the ions and the
The first technique, known as extended
x-ray absorption fine structure spectroscopy, uses
x-rays to probe the relative positions of atoms in a
solution. The second technique uses advanced
calculations and molecular modeling to simulate the structure and motion of relevant systems. The team
showed the model’s accuracy by comparing it to
This research was funded by the Department of Energy Office of Basic Energy Sciences.
The Department of Energy's Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time.