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Electrons are quick-change artists in molten salts, chemists show
When exposed to radiation, electrons produced within molten zinc chloride, or ZnCl2, can be observed in three distinct singly occupied molecular orbital states, plus a more diffuse, delocalized state.
Electrons are quick-change artists in molten salts, chemists show
by Staff Writers for ORNL News
Oak Ridge TN (SPX) Oct 20, 2023

In a finding that helps elucidate how molten salts in advanced nuclear reactors might behave, scientists have shown how electrons interacting with the ions of the molten salt can form three states with different properties. Understanding these states can help predict the impact of radiation on the performance of salt-fueled reactors.

The researchers, from the Department of Energy's Oak Ridge National Laboratory and the University of Iowa, computationally simulated the introduction of an excess electron into molten zinc chloride salt to see what would happen.

They found three possible scenarios. In one, the electron becomes part of a molecular radical that includes two zinc ions. In another, the electron localizes on a single zinc ion. In the third, the electron is delocalized, or spread out diffusely over multiple salt ions.

Because molten salt reactors are one of the reactor designs under consideration for future nuclear power plants, "the big question is what happens to molten salts when they're exposed to high radiation," said Vyacheslav Bryantsev, leader of the Chemical Separations group at ORNL and one of the scientists on the study and an author of the paper. "What happens to the salt that is used to carry the fuel in one of those advanced reactor concepts?"

Claudio Margulis, professor of chemistry at the University of Iowa and also a study investigator and author, said, "Figuring out how the electron interacts with salt is important. We see from the study that, at very short times, the electron can facilitate the formation of a zinc dimer, a monomer, or be delocalized. It is conceivable that on longer time scales such species could further interact to form other more complex ones."

In this study, the scientists wanted to understand how an electron, which appears because of radiation generated by nuclear fuel or other energy sources, will react with the ions that make up a molten salt.

"This study doesn't answer all these questions, but it's a start to investigate more deeply how the electron interacts with the salt," Margulis said.

He continued: "Since our first-principles molecular dynamics calculations show that these three species can form in the melt at very short times, it begs the question of what other species can form at longer times. We do not have an answer for this. One option is that the electrons can return to the species where they came from; for example, a chlorine radical can take back an electron to form chloride. Another is that radical species may react in more complex ways. Of particular interest is the case when radiation generates enough radicals that these can be in close proximity; this is when they could react to form more complex species."

The researchers, along with Iowa graduate student Hung Nguyen, published their findings in the American Chemical Society's The Journal of Physical Chemistry B. The paper, "Are High-Temperature Molten Salts Reactive with Excess Electrons? Case of ZnCl2," was chosen as an ACS Editors' Choice, an honor bestowed on one paper from across the entire ACS portfolio that has particular potential for broad public interest. It has also been selected for the journal's front cover.

The research was part of DOE's Molten Salts in Extreme Environments Energy Frontier Research Center, or MSEE EFRC, led by Brookhaven National Laboratory. An EFRC is a basic research program funded by DOE's Office of Basic Energy Sciences that brings together creative, multidisciplinary and multi-institutional teams of researchers to address the toughest grand scientific challenges at the forefront of fundamental energy science research.

"This research is important because it shows how the excess electrons generated by radiation in molten salt reactors could have multiple forms of reactivity. I and other members of the MSEE team are attempting to identify these other forms of reactivity experimentally," said Brookhaven chemist James Wishart, director of the MSEE EFRC.

"This study can give us some understanding of how an electron can interact with a molten salt," Bryantsev said. "There are a lot of questions still open. For example, is this interaction similar to what happens with other salts?"

Nguyen, the paper's first author, said, "I continue to work with Professor Margulis, Dr. Bryantsev, as well as other members of the MSEE project to extend our studies by looking at other salt systems. Hopefully, we will be able to answer more questions on the effect of radiation on molten salts."

Research Report:The computational research was done at DOE's Compute and Data Environment for Science at ORNL and the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory, both DOE Office of Science user facilities.

ai.energy-daily.com analysis

Relevance Ratings:

1. Nuclear Energy Industry Analyst: 9/10
2. Stock and Finance Market Analyst: 7/10
3. Government Policy Analyst: 8/10

Analyst Summary:

The article presents a scientific study exploring how electrons interact with ions in molten salts, particularly within the context of advanced nuclear reactors. The findings, conducted by researchers from the Department of Energy's Oak Ridge National Laboratory and the University of Iowa, have important implications for the development and safety of molten salt reactors, a design under consideration for future nuclear power plants.

Nuclear Energy Industry:

For a Nuclear Energy Industry Analyst, understanding the behavior of molten salts under radiation could offer insights into reactor design, stability, and safety measures. The researchers found that electrons could exist in three different states when interacting with molten salts, which could, in turn, affect the performance of salt-fueled reactors.

Stock and Finance Market:

A Stock and Finance Market Analyst might find the study significant as it indicates the potential for advancements in nuclear reactor technology, likely affecting the valuation of companies involved in developing or investing in molten salt reactors. It could also highlight emerging opportunities or risks in the sector.

Government Policy:

For a Government Policy Analyst, the study is relevant because the information could inform future policy decisions about nuclear energy, especially regarding safety regulations and research funding. Given that molten salt reactors are among those being considered for future energy generation, an understanding of their behavior under radiation is vital for policy formulation.

Historical Context:

Over the past 25 years, the nuclear industry has seen significant developments in safety and efficiency but has also faced challenges like the Fukushima disaster in 2011. Molten salt reactors are considered one of the advanced reactor designs that could potentially overcome some of the limitations of existing technology. This study thus aligns with ongoing efforts to enhance the safety and efficiency of nuclear reactors but raises new questions that require further research for practical application.

Investigative Questions:

1. How might the three different electron states in molten salts affect the long-term stability and safety of molten salt reactors?

2. Are there any commercially viable technologies that could benefit from these findings in the near term?

3. What are the implications of these findings for regulatory standards in the nuclear industry?

4. How do these discoveries align or conflict with existing research on molten salt reactors?

5. What potential investment opportunities or risks could arise from these findings in the stock market?

Overall, the article provides crucial insights that are relevant across multiple sectors, but further research is needed to understand the full scope and impact of the findings.

Related Links
Oak Ridge National Laboratory
Nuclear Power News - Nuclear Science, Nuclear Technology
Powering The World in the 21st Century at Energy-Daily.com

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