Publication Type
Journal
Journal Name
Journal of Solution Chemistry
Publication Date
Page Numbers
827 to 841
Volume
38
Issue
7
Abstract
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.