Allison A Peroutka

8PUBLICATIONS

11CO-AUTHORS

Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesMining engineeringSeparation technologiesOptical properties of materials

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Publications (8)

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|May 29, 2026

KBKit: A Python Toolkit for Kirkwood-Buff Theory from Molecular Dynamics.

|May 21, 2026

From molecular to macroscopic: predicting liquid-liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood-Buff theory.

|Mar 09, 2026

Cooperative Lanthanide Solvation in an Ionic Liquid for Critical Materials Separations.

Amanda J Carr, Hossam Farag, Emily R Mikeska

|Mar 04, 2026

Harnessing Outer-Sphere Hydrogen Bonding Interactions for Enhancing Ln(III) Selectivity with Alcohol Phase Modifiers.

Allison A Peroutka, Amanda J Carr, Ilya A Shkrob

|Nov 25, 2024

Surveying Phase Modifier Functional Groups for Applications to Ln(III) Separations.

Allison A Peroutka, Michael J Servis, Jenifer C Shafer

|Oct 04, 2024

Metadynamics investigation of lanthanide solvation free energy landscapes and insights into separations energetics.

Xiaoyu Wang, Allison A Peroutka, Dmytro V Kravchuk

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Frequent Collaborators

Michael J Servis

Jenifer C Shafer

Xiaoyu Wang

Amanda J Carr

G Brian Stephenson

Shane S Galley

Richard E Wilson

Ilya A Shkrob

Hossam Farag

Emily R Mikeska

Frequent Collaborators

Michael J Servis

Jenifer C Shafer

Xiaoyu Wang

Amanda J Carr