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 -