TY - JOUR

T1 - Energy-conserving DPD and thermodynamically consistent Fokker–Planck equation

AU - Cho, Kwang Soo

N1 - Publisher Copyright:
© 2021

PY - 2021/12/1

Y1 - 2021/12/1

N2 - The original Fokker–Planck equation does not satisfy most balance equations of continuum mechanics. Dissipative particle dynamics (DPD) is an attempt to remedy the demerits of the Fokker–Planck equation. However, a desirable kinetic equation should satisfy the four balance equations of irreversible thermodynamics, i.e., the balance equations of mass, momentum, energy, and entropy. To the best of the author's knowledge, only the Boltzmann kinetics fulfills all the conditions. We suggest a modified Fokker–Planck equation that satisfies all the conditions without the assumption of DPD, the pairwise additivity of dissipative and random forces. Our formalism is expected to minimize the number of adjustable functions that must be used in DPD.

AB - The original Fokker–Planck equation does not satisfy most balance equations of continuum mechanics. Dissipative particle dynamics (DPD) is an attempt to remedy the demerits of the Fokker–Planck equation. However, a desirable kinetic equation should satisfy the four balance equations of irreversible thermodynamics, i.e., the balance equations of mass, momentum, energy, and entropy. To the best of the author's knowledge, only the Boltzmann kinetics fulfills all the conditions. We suggest a modified Fokker–Planck equation that satisfies all the conditions without the assumption of DPD, the pairwise additivity of dissipative and random forces. Our formalism is expected to minimize the number of adjustable functions that must be used in DPD.

KW - Dissipative particle dynamics

KW - Energy conservation

KW - Fokker–Planck equation

KW - Irving–Kirkwood procedure

KW - Pairwise additivity

UR - http://www.scopus.com/inward/record.url?scp=85112002354&partnerID=8YFLogxK

U2 - 10.1016/j.physa.2021.126285

DO - 10.1016/j.physa.2021.126285

M3 - Article

AN - SCOPUS:85112002354

SN - 0378-4371

VL - 583

JO - Physica A: Statistical Mechanics and its Applications

JF - Physica A: Statistical Mechanics and its Applications

M1 - 126285

ER -