Generalized mapping of multi-body dissipative particle dynamics onto fluid compressibility and the Flory-Huggins theory.
In this work, a generalized relation between the fluid compressibility, the Flory-Huggins interaction parameter (χ), and the simulation parameters in multi-body dissipative particle dynamics (MDPD) is established. This required revisiting the MDPD equation of state previously reported in the literature and developing general relationships between the parameters used in the MDPD model. We derive a relationship to the Flory-Huggins χ parameter for incompressible fluids similar to the work previously done in dissipative particle dynamics by Groot and Warren. The accuracy of this relationship is evaluated using phase separation in small molecules and the solubility of polymers in dilute solvent solutions via monitoring the scaling of the radius of gyration (Rg) for different solvent qualities. Finally, the dynamics of the MDPD fluid is studied with respect to the diffusion coefficient and the zero shear viscosity.
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Safa
S
Jamali
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Arman
A
Boromand
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Shaghayegh
S
Khani
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Jacob
J
Wagner
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Mikio
M
Yamanoi
Department of Macromolecular Science and Engineering, Case Western Reserve University, 2100 Adelbert Rd., Cleveland, Ohio 44106, USA.
Joao
J
Maia