Ion Pair in Extreme Aqueous Environments, Molecular-Based and Electric Conductance Approaches
Journal Article
·
· Journal of Solution Chemistry
- ORNL
We determine by molecular-based simulation the density profiles of the Na+!Cl! ion-pair association constant in steam environments along three supercritical isotherms to interrogate the behavior of ion speciation in dilute aqueous solutions at extreme conditions. Moreover, we describe a new ultra-sensitive flow-through electric conductance apparatus designed to bridge the gap between the currently lowest steam-density conditions at which we are experimentally able to attain electric conductance measurements and the theoretically-reachable zero-density limit. Finally, we highlight important modeling challenges encountered near the zero-density limit and discuss ways to overcome them.
- Research Organization:
- Oak Ridge National Laboratory (ORNL)
- Sponsoring Organization:
- SC USDOE - Office of Science (SC); ORNL work for others
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 979152
- Journal Information:
- Journal of Solution Chemistry, Journal Name: Journal of Solution Chemistry Journal Issue: 7 Vol. 38; ISSN JSLCAG; ISSN 0095-9782
- Country of Publication:
- United States
- Language:
- English
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