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1.
Soft Matter ; 17(5): 1232-1245, 2021 Feb 15.
Article in English | MEDLINE | ID: mdl-33300930

ABSTRACT

A combination of rheology, optical microscopy and computer simulations was used to investigate the microstructural changes of a semi-dilute suspension of attractive rigid rods in an imposed shear flow. The aim is to understand the relation of the microstructure with the viscoelastic response, and the yielding and flow behaviour in different shear regimes of gels built from rodlike colloids. A semi-dilute suspension of micron sized, rodlike silica particles suspended in 11 M CsCl salt solution was used as a model system for attractive rods' gel. Upon application of steady shear the gel microstructure rearranges in different states and exhibits flow instabilities depending on shear rate, attraction strength, volume fraction and geometrical confinement. At low rod volume fractions, the suspension forms large, vorticity aligned, particle rich flocs that roll in the flow-vorticity plane, an effect that is due to an interplay between hydrodynamic interactions and geometrical confinement as suggested by computer simulations. Experimental data allow the creation of a state diagram, as a function of volume fraction and shear rates, identifying regimes of stable (or unstable) floc formation and of homogeneous gel or broken clusters. The transition is related to dimensionless Mason number, defined as the ratio of shear forces to interparticle attractive force.

2.
Proc Natl Acad Sci U S A ; 116(25): 12193-12198, 2019 06 18.
Article in English | MEDLINE | ID: mdl-31164423

ABSTRACT

Dilute suspensions of repulsive particles exhibit a Newtonian response to flow that can be accurately predicted by the particle volume fraction and the viscosity of the suspending fluid. However, such a description fails when the particles are weakly attractive. In a simple shear flow, suspensions of attractive particles exhibit complex, anisotropic microstructures and flow instabilities that are poorly understood and plague industrial processes. One such phenomenon, the formation of log-rolling flocs, which is ubiquitously observed in suspensions of attractive particles that are sheared while confined between parallel plates, is an exemplar of this phenomenology. Combining experiments and discrete element simulations, we demonstrate that this shear-induced structuring is driven by hydrodynamic coupling between the flocs and the confining boundaries. Clusters of particles trigger the formation of viscous eddies that are spaced periodically and whose centers act as stable regions where particles aggregate to form flocs spanning the vorticity direction. Simulation results for the wavelength of the periodic pattern of stripes formed by the logs and for the log diameter are in quantitative agreement with experimental observations on both colloidal and noncolloidal suspensions. Numerical and experimental results are successfully combined by means of rescaling in terms of a Mason number that describes the strength of the shear flow relative to the rupture force between contacting particles in the flocs. The introduction of this dimensionless group leads to a universal stability diagram for the log-rolling structures and allows for application of shear-induced structuring as a tool for assembling and patterning suspensions of attractive particles.

3.
Nat Commun ; 10(1): 2237, 2019 05 20.
Article in English | MEDLINE | ID: mdl-31110184

ABSTRACT

Colloidal gels formed by arrested phase separation are found widely in agriculture, biotechnology, and advanced manufacturing; yet, the emergence of elasticity and the nature of the arrested state in these abundant materials remains unresolved. Here, the quantitative agreement between integrated experimental, computational, and graph theoretic approaches are used to understand the arrested state and the origins of the gel elastic response. The micro-structural source of elasticity is identified by the l-balanced graph partition of the gels into minimally interconnected clusters that act as rigid, load bearing units. The number density of cluster-cluster connections grows with increasing attraction, and explains the emergence of elasticity in the network through the classic Cauchy-Born theory. Clusters are amorphous and iso-static. The internal cluster concentration maps onto the known attractive glass line of sticky colloids at low attraction strengths and extends it to higher strengths and lower particle volume fractions.

4.
Phys Rev E ; 97(1-1): 012608, 2018 Jan.
Article in English | MEDLINE | ID: mdl-29448322

ABSTRACT

The normal modes and relaxation rates of weak colloidal gels are investigated in calculations using different models of the hydrodynamic interactions between suspended particles. The relaxation spectrum is computed for freely draining, Rotne-Prager-Yamakawa, and accelerated Stokesian dynamics approximations of the hydrodynamic mobility in a normal mode analysis of a harmonic network representing several colloidal gels. We find that the density of states and spatial structure of the normal modes are fundamentally altered by long-ranged hydrodynamic coupling among the particles. Short-ranged coupling due to hydrodynamic lubrication affects only the relaxation rates of short-wavelength modes. Hydrodynamic models accounting for long-ranged coupling exhibit a microscopic relaxation rate for each normal mode, λ that scales as l^{-2}, where l is the spatial correlation length of the normal mode. For the freely draining approximation, which neglects long-ranged coupling, the microscopic relaxation rate scales as l^{-γ}, where γ varies between three and two with increasing particle volume fraction. A simple phenomenological model of the internal elastic response to normal mode fluctuations is developed, which shows that long-ranged hydrodynamic interactions play a central role in the viscoelasticity of the gel network. Dynamic simulations of hard spheres that gel in response to short-ranged depletion attractions are used to test the applicability of the density of states predictions. For particle concentrations up to 30% by volume, the power law decay of the relaxation modulus in simulations accounting for long-ranged hydrodynamic interactions agrees with predictions generated by the density of states of the corresponding harmonic networks as well as experimental measurements. For higher volume fractions, excluded volume interactions dominate the stress response, and the prediction from the harmonic network density of states fails. Analogous to the Zimm model in polymer physics, our results indicate that long-ranged hydrodynamic interactions play a crucial role in determining the microscopic dynamics and macroscopic properties of weak colloidal gels.

5.
J Phys Chem B ; 122(11): 2867-2880, 2018 03 22.
Article in English | MEDLINE | ID: mdl-29469576

ABSTRACT

Reversible self-association of therapeutic antibodies is a key factor in high protein solution viscosities. In the present work, a coarse-grained computational model accounting for electrostatic, dispersion, and long-ranged hydrodynamic interactions of two model monoclonal antibodies is applied to understand the nature of self-association, predicting the solution microstructure and resulting transport properties of the solution. For the proteins investigated, the structure factor across a range of solution conditions shows quantitative agreement with neutron-scattering experiments. We observe a homogeneous, dynamical association of the antibodies with no evidence of phase separation. Calculations of self-diffusivity and viscosity from coarse-grained dynamic simulations show the appropriate trends with concentration but, respectively, over- and under-predict the experimentally measured values. By adding constraints to the self-associated clusters that rigidify them under flow, prediction of the transport properties is significantly improved with respect to experimental measurements. We hypothesize that these rigidity constraints are associated with missing degrees of freedom in the coarse-grained model resulting from patchy and heterogeneous interactions among coarse-grained domains. These results demonstrate how structural anisotropy and anisotropy of interactions generated by features at the 2-5 nm length scale in antibodies are sufficient to recover the dynamics and rheological properties of these important macromolecular solutions.


Subject(s)
Antibodies, Monoclonal/chemistry , Hydrodynamics , Molecular Dynamics Simulation , Protein Conformation , Solutions
6.
Soft Matter ; 12(36): 7670-81, 2016 Sep 28.
Article in English | MEDLINE | ID: mdl-27550538

ABSTRACT

We show that discrete element simulations of colloidal gelation must account for hydrodynamic interactions between suspended particles through investigation of gelation in a dispersion of colloids interacting pair-wise via short-ranged attraction and long-ranged repulsion (SALR). These dynamic simulations juxtapose self-assembly with and without hydrodynamic interactions between the particles. The long-ranged repulsion impacts the relative rates of coagulation and compaction of colloidal aggregates pre-gel, and introduces a surprising sensitivity to the nature of hydrodynamic interactions between the suspended colloids. For such SALR dispersions, we observe a significant disparity between the percolation boundaries predicted by simulations including and neglecting long-ranged hydrodynamic interactions. Additionally, we find that the percolation boundaries predicted by simulations including hydrodynamic interactions agree well with those measured experimentally. Long-ranged repulsion promotes gelation via growth of anisotropic clusters regardless of the hydrodynamic model employed. However, differences between the models, which persist far from the percolation boundary, are apparent via measurements of the fractal dimension, local bond order parameters, and the collective relaxation dynamics. Notably, the growth of elongated clusters is augmented in simulations that incorporate long-ranged hydrodynamic interactions due to the anisotropic diffusion of elongated bodies at low Reynolds numbers, which favors percolation over a transition of anisotropic clusters to their more isotropic ground states. It is only in relatively dense suspensions that a combination of hydrodynamic screening and significantly faster aggregation combine to bring the two simulation methods into agreement. These results demonstrate the necessity of long-ranged hydrodynamic forces in discrete element simulations of heterogeneous gelation at the colloidal scale.

7.
Soft Matter ; 11(46): 9009-19, 2015 Dec 14.
Article in English | MEDLINE | ID: mdl-26406284

ABSTRACT

Colloidal gels are formed during arrested phase separation. Sub-micron, mutually attractive particles aggregate to form a system spanning network with high interfacial area, far from equilibrium. Models for microstructural evolution during colloidal gelation have often struggled to match experimental results with long standing questions regarding the role of hydrodynamic interactions. In nearly all models, these interactions are neglected entirely. In the present work, we report simulations of gelation with and without hydrodynamic interactions between the suspended particles executed in HOOMD-blue. The disparities between these simulations are striking and mirror the experimental-theoretical mismatch in the literature. The hydrodynamic simulations agree with experimental observations, however. We explore a simple model of the competing transport processes in gelation that anticipates these disparities, and conclude that hydrodynamic forces are essential. Near the gel boundary, there exists a competition between compaction of individual aggregates which suppresses gelation and coagulation of aggregates which enhances it. The time scale for compaction is mildly slowed by hydrodynamic interactions, while the time scale for coagulation is greatly accelerated. This enhancement to coagulation leads to a shift in the gel boundary to lower strengths of attraction and lower particle concentrations when compared to models that neglect hydrodynamic interactions. Away from the gel boundary, differences in the nearest neighbor distribution and fractal dimension persist within gels produced by both simulation methods. This result necessitates a fundamental rethinking of how dynamic, discrete element models for gelation kinetics are developed as well as how collective hydrodynamic interactions influence the arrest of attractive colloidal dispersions.

8.
Magy Seb ; 64(5): 242-5, 2011 Oct.
Article in Hungarian | MEDLINE | ID: mdl-21997529

ABSTRACT

UNLABELLED: Authors present two cases of successfully operated patients with retrohepatic inferior vena cava (IVC) injury. In the first case a 79 year old female patient suffered from multiple stab wounds in the area of the 4th segment of the right lung as well as in the retrohepatic region in close proximity to the IVC. At the time of the first surgery the IVC injury was not identified. During a second operation, however, the IVC was isolated from the liver using an anterior dissection of the parenchyma with finger-fracture technique and the injury was oversawn finally. Successful haemostasis of the liver was achieved by packing of the perihepatic space, which was removed three days later. In the second case a 25 year-old male patient had suffered blunt abdominal trauma. He underwent laparotomy and packing on the site of the hepatic injury, which had to be repeated seven more times. Later on, another urgent laparotomy was carried out for recurring intraabdominal bleeding and bile leakage, and cholecystectomy was performed due to gallbladder perforation. Another two days later a further emergency laparotomy was indicated for ongoing intraabdominal bleeding, when the bleeding source - an injury (3 mm in diameter) of the retrohepatic IVC - was oversawn. After relatively long postoperative stay both patients were fully recovered and discharged from hospital. CONCLUSIONS: penetrating injuries of the IVC are associated with high mortality rate of approximately 78%. Proper management of these injuries requires experience in both vascular and liver surgery. Retrohepatic IVC injury needs to be considered in the differential diagnosis of ongoing bleeding in penetrating or blunt liver trauma. Packing of the liver is a reliable haemostatic method if bleeding persists due to division of the liver parenchyma.


Subject(s)
Abdominal Injuries/surgery , Hemorrhage/surgery , Liver/injuries , Liver/surgery , Vena Cava, Inferior/injuries , Vena Cava, Inferior/surgery , Wounds, Nonpenetrating/surgery , Wounds, Penetrating/surgery , Adult , Aged , Emergency Treatment , Female , Hemorrhage/etiology , Humans , Laparotomy , Male , Reoperation , Vascular Surgical Procedures
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