78 citations · 90 across the 6 of their papers we have counts for
7 papers
Explicit Solvents Reverse Temperature Dependence of Phase Behavior in Charged Fluids
Pierre J. Walker, Zhen-Gang Wang
In most theories of electrolyte and polyelectrolyte solutions, the solvent is treated implicitly as a dielectric continuum. While this approximation has enabled major advances, it…
How Topology Shapes the Phase Behavior of Polyelectrolytes
David Beyer, Pierre J. Walker, Lena Tarrach +2
We develop a topology-specific theory of polyelectrolyte coacervation using the random phase approximation and apply it to both simple and complex coacervation. Our results for sta…
Stockmayer Fluid with a Shifted Dipole: Bulk Behavior
Pierre J. Walker, Ananya Venkatachalam, Samuel Varner +2
Shifting the point dipole from the center of a Stockmayer particle is a simple geometric modification that has been explored previously, yet its implications for liquid structure,…
Stockmayer Fluid with a Shifted Dipole: Interfacial Behavior
Samuel Varner, Pierre J. Walker, Ananya Venkatachalam +2
We investigate the properties of the liquid-vapor interface in the shifted Stockmayer fluid using molecular dynamics simulations in the canonical ensemble. We study the role of the…
Confidence Interval and Uncertainty Propagation Analysis of SAFT-type Equations of State
Pierre J. Walker, Simon Mueller, Irina Smirnova
Thermodynamic models and, in particular, SAFT-type equations are vital in characterizing complex systems. This paper presents a framework for sampling parameter distributions in PC…
Clapeyron.jl: An extensible, open-source fluid-thermodynamics toolkit
Pierre J. Walker, Hon-Wa Yew, Andrés Riedemann
Thermodynamic models are often vital when characterising complex systems, particularly natural gas, electrolyte, polymer, pharmaceutical and biological systems. However, their impl…
Introducing students to research codes: A short course on solving partial differential equations in Python
Pavan Inguva, Vijesh J. Bhute, Thomas N. H. Cheng +1
Recent releases of open-source research codes and solvers for numerically solving partial differential equations in Python present a great opportunity for educators to integrate th…