Noncontinuum effects on the mobility of nanoparticles in unentangled polymer solutions

Pryamitsyn, Victor; Ganesan, Venkat

doi:10.1002/polb.24138

Cited by 14 publications

(11 citation statements)

References 64 publications

(118 reference statements)

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“…In turn, NP dynamics as they move through an entangled polymer melt is also an area of active interest. 107,[222][223][224][225] For systems where there is no specific interaction between the NPs and the matrix, theory predicts that NP diffusion will be controlled by a constraint release mechanism, which opens up the network locally, enabling NP motion. 223,226 Although simulations have provided a microscopic picture of the distribution of entanglements around grafted spherical NPs, many basic questions remain.…”

Section: Dynamics In Polymer Nanocompositesmentioning

confidence: 99%

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Kumar

Ganesan

Riggleman

2017

The Journal of Chemical Physics

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171

143

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This topical review discusses the theoretical progress made in the field of polymer nanocomposites, i.e., hybrid materials created by mixing (typically inorganic) nanoparticles (NPs) with organic polymers. It primarily focuses on the outstanding issues in this field and is structured around five separate topics: (i) the synthesis of functionalized nanoparticles; (ii) their phase behavior when mixed with a homopolymer matrix and their assembly into well-defined superstructures; (iii) the role of processing on the structures realized by these hybrid materials and the role of the mobilities of the different constituents; (iv) the role of external fields (electric, magnetic) in the active assembly of the NPs; and (v) the engineering properties that result and the factors that control them. While the most is known about topic (ii), we believe that significant progress needs to be made in the other four topics before the practical promise offered by these materials can be realized. This review delineates the most pressing issues on these topics and poses specific questions that we believe need to be addressed in the immediate future. Published by AIP Publishing. [http://dx

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Section: Dynamics In Polymer Nanocompositesmentioning

confidence: 99%

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Kumar

Ganesan

Riggleman

2017

The Journal of Chemical Physics

Self Cite

171

143

View full text Add to dashboard Cite

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“…Note that, it is hard to take a simulation work on this issue especially the polymer solution, which on one side the solvent accounts for a large proportion and costs a huge computational resource, and on other side a reasonable diffusion coefficient needs so much long time to evolve the system . To our best of knowledge, only in the recent two years, Li et al [46,47]and Pryamitsyn et al [48] had studied this issue in a simulation way, using Multiparticle Collision Dynamic (MPCD) and Dissipative Particle Dynamic (DPD) method respectively.…”

Section: Introductionmentioning

confidence: 99%

“…In the past decades, diffusion of NPs in polymer solutions has received a lot of attention both experimentally [16][17][18][19][20] and theoretically [21][22][23][24][25][26][27]. In experiments, fluctuation correlation spectroscopy (FCS) [28][29][30][31], dynamic light scattering (DLS) [29,32], and capillary viscosimetry are general tools to investigate the diffusion of a NP in complex fluids.…”

Section: Introductionmentioning

confidence: 99%

Study of active Brownian particle diffusion in polymer solutions

Jiang

Hou

2019

Soft Matter

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The diffusion behavior of an active Brownian particle (ABP) in polymer solutions is studied using Langevin dynamics simulations. We find that the long time diffusion coefficient D can show a non-monotonic dependence on the particle size R if the active force Fa is large enough, wherein a bigger particle would diffuse faster than a smaller one which is quite counterintuitive. By analyzing the short time dynamics in comparison to the passive one, we find that such non-trivial dependence results from the competition between persistence motion of the ABP and the length-scale dependent effective viscosity that the particle experienced in the polymer solution. We have also introduced an effective viscosity η eff experienced by the ABP phenomenologically. Such an active η eff is found to be larger than a passive one and strongly depends on R and Fa. In addition, we find that the dependence of D on propelling force Fa presents a well scaling form at a fixed R and the scaling factor changes non-monotonically with R. Such results demonstrate that active issue plays rather subtle roles on the diffusion of nano-particle in complex solutions. arXiv:1801.03279v1 [cond-mat.soft]

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“…When this continuum approximation is broken by a particle that is comparably sized to a characteristic length scale of the material, however, the particle dynamics deviates from these expressions and a description based solely on the zero-shear viscosity of the material becomes insufficient. [3][4][5][6][7][8][9][10] Semidilute polymer solutions are non-Newtonian fluids used commonly during polymer composite processing, 11 as sweep fluids in enhanced oil recovery methods, 12 and to produce hydrogels. 13 They serve as ideal models for complex heterogeneous materials because their characteristic length scales, such as the polymer radius of gyration R g and the correlation length ξ, are well-defined and easily tuned by changing the molecular weight and concentration of the polymer.…”

Section: Introductionmentioning

confidence: 99%

Coupling of Nanoparticle Dynamics to Polymer Center-of-Mass Motion in Semidilute Polymer Solutions

et al. 2018

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We investigate the dynamics of nanoparticles in semidilute polymer solutions when the nanoparticles are comparably sized to the polymer coils using explicit-and implicitsolvent simulation methods. The nanoparticle dynamics are subdiffusive on short time scales before transitioning to diffusive motion on long time scales. The long-time diffusivities scale according to theoretical predictions based on full dynamic coupling to the polymer segmental relaxations. In agreement with our recent experiments, however, we observe that the nanoparticle subdiffusive exponents are significantly 1 arXiv:1711.01014v3 [cond-mat.soft] 9 Feb 2018 larger than predicted by the coupling theory over a broad range of polymer concentrations. We attribute this discrepancy in the subdiffusive regime to the presence of an additional coupling mechanism between the nanoparticle dynamics and the polymer center-of-mass motion, which differs from the polymer relaxations that control the long-time diffusion. This coupling is retained even in the absence of many-body hydrodynamic interactions when the long-time dynamics of the colloids and polymers are matched.

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Noncontinuum effects on the mobility of nanoparticles in unentangled polymer solutions

Cited by 14 publications

References 64 publications

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Study of active Brownian particle diffusion in polymer solutions

Coupling of Nanoparticle Dynamics to Polymer Center-of-Mass Motion in Semidilute Polymer Solutions

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