Dissipative particle dynamics simulations in colloid and Interface science: a review.

  title={Dissipative particle dynamics simulations in colloid and Interface science: a review.},
  author={Kolattukudy P. Santo and Alexander V. Neimark},
  journal={Advances in colloid and interface science},
  • K. P. SantoA. Neimark
  • Published 1 October 2021
  • Materials Science
  • Advances in colloid and interface science

DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of

Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations.

We present the second part of a two-part paper series intended to address a gap in computational capability for coarse-grain particle modeling and simulation, namely, the simulation of phenomena in

Coarse-Grained Modeling of Ion-Containing Polymers.

Ion-containing polymers have continued to be an important research focus for several decades due to their use as an electrolyte in energy storage and conversion devices. Elucidation of connections

Controlling Degradation and Erosion of Polymer Networks: Insights from Mesoscale Modeling.

The results elucidate the main features of degradation and erosion on the mesoscale and could provide guidelines for future design of degrading materials with dynamically controlled properties.

Interactions of Crosslinked Polyacrylic Acid Polyelectrolyte Gels with Nonionic and Ionic Surfactants.

Reduced swelling and higher stability indicate better prospects of using SDS-type surfactants with Carbopol-based gels in formulations for detergents and personal care products.

Evaluation of Nanoparticle Stability under Blood Flow Shear.

DPD, a simulation method suitable for soft matter and fluids, was used to study the stability of amphiphilic nanoparticles in the blood microenvironment and found that branch degree and geometric symmetry would be the key factors in maintaining the nanoparticle's stability.

Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations.

The homogeneous covering of amphiphillic polymer molecules onto metallic surfaces is of great importance for corrosion inhibitor applications. Lyophillic side chains grafted onto a lyophobic backbone

Mesoscale Modeling of Agglomeration of Molecular Bottlebrushes: Focus on Conformations and Clustering Criteria

Using dissipative particle dynamics, we characterize dynamics of aggregation of molecular bottlebrushes in solvents of various qualities by tracking the number of clusters, the size of the largest

Theoretical Design of a Janus-Nanoparticle-Based Sandwich Assay for Nucleic Acids

Nanoparticles exhibit diverse self-assembly attributes and are expected to be applicable under unique settings. For instance, biomolecules can be sandwiched between dimer nanoparticles and detected

Rhamnolipid Biosurfactants for Oil Recovery: Salt Effects on the Structural Properties Investigated by Mesoscale Simulations

For 5 wt % salinity, the ionic RLs can form oil-swollen micelles up to a 1:1 surfactant-to-oil ratio, suggesting that ionicRLs are superb to act as cleaning agents for petroleum hydrocarbons in the marine area.




Computer simulations and in particular mesoscopic simulation techniques such as the dissipative particle dynamics (DPD) technique, enable researchers to study the complexities of soft material and

Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations.

It is shown, for the first time, that the dissipative particle dynamics with rigorously defined soft repulsion interaction and rigidity parameters is capable of predicting micellar self-assembly of nonionic surfactants.

Coarse-Graining of Chain Models in Dissipative Particle Dynamics Simulations†

We have examined the influence of coarse-graining polymer chains in dissipative particle dynamics simulations on both phase behavior and aggregation dynamics. Our coarse-graining approach involves

Computer simulation of dilute polymer solutions with the dissipative particle dynamics method

A novel method of investigating the link between molecular features of polymer molecules and the rheological properties of dilute polymer solutions has been investigated. It applies the dissipative


We critically review dissipative particle dynamics (DPD) as a mesoscopic simulation method. We have established useful parameter ranges for simulations, and have made a link between these parameters

Simulation of a confined polymer in solution using the dissipative particle dynamics method

The dynamics of a bead-and-spring polymer chain suspended in a sea of solvent particles are examined by dissipative particle dynamics (DPD) simulations. The solvent is treated as a structured medium,

Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces

The theoretical background of MDPD is recalled, some recent results of systems of interest such as water liquid-vapor interfaces and salt effect on water surface tension are presented and the ability ofMDPD to capture the mechanisms at the mesoscopic scale through the formation of micelles and the coalescence of a nanodroplet water on watersurface is discussed.

Applications of Dissipative Particle Dynamics

Dissipative Particle Dynamics (DPD) is one of the most promising simulation techniques for studies of mesoscopic properties of soft matter systems. Here, we discuss DPD, its parameterisation in

Bead-bead interaction parameters in dissipative particle dynamics: relation to bead-size, solubility parameter, and surface tension.

The Groot-Warren theory is revisited and the DPD interaction parameters as a function of bead size are investigated and a consistent scheme of computing the interfacial tension in a segregated binary mixture is shown.