TY - JOUR
T1 - Dissipative particle dynamics simulations in colloid and Interface science
T2 - a review
AU - Santo, Kolattukudy P.
AU - Neimark, Alexander V.
N1 - Funding Information: This work was supported in parts by NSF-CBET grants 1264702 , 1510993 , and 2040302 . Publisher Copyright: © 2021 Elsevier B.V.
PY - 2021/12
Y1 - 2021/12
N2 - Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained methodologies for modeling soft matter systems. Here, we comprehensively review the progress in theoretical formulations, parametrization strategies, and applications of DPD over the last two decades. DPD bridges the gap between the microscopic atomistic and macroscopic continuum length and time scales. Numerous efforts have been performed to improve the computational efficiency and to develop advanced versions and modifications of the original DPD framework. The progress in the parametrization techniques that can reproduce the engineering properties of experimental systems attracted a lot of interest from the industrial community longing to use DPD to characterize, help design and optimize the practical products. While there are still areas for improvements, DPD has been efficiently applied to numerous colloidal and interfacial phenomena involving phase separations, self-assembly, and transport in polymeric, surfactant, nanoparticle, and biomolecules systems.
AB - Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained methodologies for modeling soft matter systems. Here, we comprehensively review the progress in theoretical formulations, parametrization strategies, and applications of DPD over the last two decades. DPD bridges the gap between the microscopic atomistic and macroscopic continuum length and time scales. Numerous efforts have been performed to improve the computational efficiency and to develop advanced versions and modifications of the original DPD framework. The progress in the parametrization techniques that can reproduce the engineering properties of experimental systems attracted a lot of interest from the industrial community longing to use DPD to characterize, help design and optimize the practical products. While there are still areas for improvements, DPD has been efficiently applied to numerous colloidal and interfacial phenomena involving phase separations, self-assembly, and transport in polymeric, surfactant, nanoparticle, and biomolecules systems.
KW - Coarse-grained simulations
KW - Dissipative particle dynamics
KW - Nanoparticles
KW - Parameterization
KW - Polymers
KW - Surfactants
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U2 - https://doi.org/10.1016/j.cis.2021.102545
DO - https://doi.org/10.1016/j.cis.2021.102545
M3 - Review article
SN - 0001-8686
VL - 298
JO - Advances in Colloid and Interface Science
JF - Advances in Colloid and Interface Science
M1 - 102545
ER -