Dynamical and Rheological Properties of Ultrasoft Colloids under Shear Flow

Singh, Sunil P.; Chatterji, A. C.; Gompper, Gerhard; Winkler, Roland G.

doi:10.1021/ma401571k

Cited by 37 publications

(56 citation statements)

References 62 publications

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“…For ultra soft colloids investigated by Singh et al 21 m = 0.43, by Ripoll et al 20 m = 0.35, while Teixeira et al 45 have shown that for long linear WLC polymers, m = 0.46. Our results in Fig.…”

Section: Dynamic Properties: Results and Discussionmentioning

confidence: 93%

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Hydrodynamic interactions of deformable polymeric nanocarriers and the effect of crosslinking

et al. 2015

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We report theoretical as well as numerical investigations of deformable nanocarriers (NCs) under physiologically relevant flow conditions. Specifically, to model the deformable lysozyme-core/dextran-shell crosslinked polymer based NC with internal nanostructure and subject it to external hydrodynamic shear, we have introduced a coarse-grained model for the NC and have adopted a Brownian dynamics framework, which incorporates hydrodynamic interactions, in order to describe the static and dynamic properties of the NC. In order to represent the fluidity of the polymer network in the dextran brush-like corona, we coarse-grain the structure of the NC based on the hypothesis that Brownian motion, polymer melt reptations, and crosslinking density dominate their structure and dynamics. In our model, we specify a crosslinking density and employ the simulated annealing protocol to mimic the experimental synthesis steps in order to obtain the appropriate internal structure of the core–shell polymer. We then compute the equilibrium as well as steady shear rheological properties as functions of the Péclet number and the crosslinking density, in the presence of hydrodynamic interactions. We find that with increasing crosslinking, the stiffness of the nano-carrier increases, the radius of gyration decreases, and as a consequence the self-diffusivity increases. The nanocarrier under shear deforms and orients along the direction of the applied shear and we find that the orientation and deformation under shear are dependent on the shear rate and the crosslinking density. We compare various dynamic properties of the NC as a function of the shear force, such as orientation, deformation, intrinsic stresses etc., with previously reported computational and experimental results of other model systems. The computational approach described here serves as a powerful tool for the rational design of NCs by taking both the physiological as well as the hydrodynamic environments into consideration. Development of such models is essential in order to gain useful insights that may be translated into the optimal design of NCs for diagnostic as well as targeted drug delivery applications.

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Section: Dynamic Properties: Results and Discussionmentioning

confidence: 93%

“…20,21,45 In Fig. 15 we plot

\frac{tan false(2 θ false)}{Wi}

for various shear rates and crosslinking densities, and show the corresponding fits to the data by reporting the values of m ; we omit results for large crosslinking densities (100% and 160%) due to their spherical shape (see Fig.…”

Section: Dynamic Properties: Results and Discussionmentioning

confidence: 99%

Hydrodynamic interactions of deformable polymeric nanocarriers and the effect of crosslinking

et al. 2015

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“…The number of polymer arms controls the properties of the colloid-a small number of arms leads to polymer-like behavior and a large number of arms to colloidal behavior. The equilibrium and nonequilibrium properties of star polymers have been addressed in various experimental and simulation studies [14][15][16][17][18][46][47][48][49][50][51][52][53].…”

Section: Introductionmentioning

confidence: 99%

Steady state sedimentation of ultrasoft colloids

Singh

Gompper

Winkler

2018

The Journal of Chemical Physics

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The structural and dynamical properties of ultra-soft colloids-star polymers-exposed to a uniform external force field are analyzed by applying the multiparticle collision dynamics technique, a hybrid coarse-grain mesoscale simulation approach, which captures thermal fluctuations and long-range hydrodynamic interactions. In the weak-field limit, the structure of the star polymer is nearly unchanged; however, in an intermediate regime, the radius of gyration decreases, in particular transverse to the sedimentation direction. In the limit of a strong field, the radius of gyration increases with field strength. Correspondingly, the sedimentation coefficient increases with increasing field strength, passes through a maximum, and decreases again at high field strengths. The maximum value depends on the functionality of the star polymer. High field strengths lead to symmetry breaking with trailing, strongly stretched polymer arms and a compact star-polymer body. In the weak-field-linear response regime, the sedimentation coefficient follows the scaling relation of a star polymer in terms of functionality and arm length.

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“…Only a few studies in linear chains and star polymers have addressed the effect of the concentration. [39][40][41][42][43][44] In this article we investigate, for the first time, the structural and dynamic properties of semidilute solutions of SCNPs under shear flow. We employ large-cale simulations including hydrodynamic interactions.…”

Section: Introductionmentioning

confidence: 99%

Single-Chain Nanoparticles under Homogeneous Shear Flow

Formanek

Moreno

2019

Macromolecules

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Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the first time the effect of the shear flow on the structural and dynamic properties of SCNPs in semidilute solutions. We characterize the dependence of several conformational and dynamic observables on the shear rate and the concentration, obtaining a set of power-law scaling laws. The concentration has a very different effect on the shear rate dependence of the former observables in SCNPs than in simple linear chains. Whereas for the latter the scaling behavior is marginally dependent on the concentration, two clearly different scaling regimes are found for the SCNPs below and above the overlap concentration.At fixed shear rate SCNPs and linear chains also respond very differently to crowding.Whereas, at moderate and high Weissenberg numbers the linear chains swell, the SC-NPs exhibit a complex non-monotonic behavior. These findings are inherently related to the topological interactions preventing concatenation of the SCNP loops, leading to less interpenetration than for linear chains.

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Dynamical and Rheological Properties of Ultrasoft Colloids under Shear Flow

Cited by 37 publications

References 62 publications

Hydrodynamic interactions of deformable polymeric nanocarriers and the effect of crosslinking

Hydrodynamic interactions of deformable polymeric nanocarriers and the effect of crosslinking

Steady state sedimentation of ultrasoft colloids

Single-Chain Nanoparticles under Homogeneous Shear Flow

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