We present a mesoscale simulation technique, called the reaction ensemble dissipative
particle dynamics (RxDPD) method, for studying reaction equilibrium of polymer systems.
The RxDPD method combines elements of dissipative particle dynamics (DPD) and reaction
ensemble Monte Carlo (RxMC), allowing for the determination of both static and dynamical
properties of a polymer system. The RxDPD method is demonstrated by considering several
simple polydispersed homopolymer systems. RxDPD can be used to predict the …

We present an alternative formulation of the reaction ensemble dissipative particle dynamics
(RxDPD) method [M. Lísal, JK Brennan, and WR Smith, J. Chem. Phys. 125, 16490 (2006)],
a mesoscale simulation technique for studying polymer systems in reaction equilibrium. The
RxDPD method combines elements of dissipative particle dynamics (DPD) and reaction
ensemble Monte Carlo (RxMC), and is primarily targeted for the prediction of the system
composition, thermodynamic properties, and phase behavior of reaction equilibrium polymer …