Modeling the phase behavior of polydisperse rigid rods with attractive interactions with applications to single-walled carbon nanotubes in superacids

Green, Micah J.; Parra-Vasquez, A. Nicholas G.; Behabtu, Natnael; Pasquali, Matteo

doi:10.1063/1.3204024

Cited by 71 publications

(91 citation statements)

References 49 publications

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“…However, our system deviates from the classical Onsager-like hard-rod model in two ways. First, our CNTs do not interact via a hard-core potential; the CSA solvent charges the CNTs and stabilizes them against the van der Waals attractions [32]. Second, our system is polydisperse, in particular in length; no reliable estimate is available for the nematic order parameter in polydisperse rod-like systems at coexistence.…”

Section: B Order Parameter and Optical Properties Of Nematic Phase Imentioning

confidence: 99%

Experimental realization of crossover in shape and director field of nematic tactoids

et al. 2015

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Spindle-shaped nematic droplets (tactoids) form in solutions of rod-like molecules at the onset of the liquid crystalline phase. Their unique shape and internal structure result from the interplay of the elastic deformation of the nematic and anisotropic surface forces. The balance of these forces dictates that tactoids must display a continuous variation in aspect ratio and director-field configuration. Yet, such continuous transition has eluded observation for decades: tactoids have displayed either a bipolar configuration with particles aligned parallel to the droplet interface or a homogeneous configuration with particles aligned parallel to the long axis of the tactoid. Here, we report the first observation of the continuous transition in shape and director-field configuration of tactoids in true solutions of carbon nanotubes in chlorosulfonic acid. This observation is possible because the exceptional length of carbon nanotubes shifts the transition to a size range that can be visualized by optical microscopy. Polarization micrographs yield the interfacial and elastic properties of the system. Absorbance anisotropy measurements provide the highest nematic order parameter (S = 0.79) measured to date for a nematic phase of carbon nanotubes at coexistence with its isotropic phase.

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Section: B Order Parameter and Optical Properties Of Nematic Phase Imentioning

confidence: 99%

Experimental realization of crossover in shape and director field of nematic tactoids

et al. 2015

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“…192 Similarly, many polymeric systems, especially in biological contexts, exhibit a degree of rigidity which render them semiflexible. While some preliminary studies have considered the influence of particle anisotropies and/or polymer semiflexibilities on the interactions and phase behavior, [193][194][195][196] such explorations have been very limited relative to the vast parameter space such systems presents (even in the context of the model interactions). Herein, we believe that a significant opportunity lies for theory and simulations to shed light on the phase/selfassembly behavior and identify potentially interesting parametric regions to achieve morphologies which may not be otherwise attainable.…”

Section: B Influence Of Complex Interaction Features On the Phase Bementioning

confidence: 99%

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Kumar

Ganesan

Riggleman

2017

The Journal of Chemical Physics

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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“…Smalley et al reported the exfoliation of CNTs' bundles with the help of a superacid [68][69][70][71][72][73]. SWNTs can be dispersed at high concentration in superacid, and the protonation of CNTs' sidewalls eliminates wall-wall van der Waals interactions and promotes the dispersion process.…”

Section: Protonated Cntsmentioning

confidence: 97%

Liquid Crystalline 1D and 2D Carbon Materials

Bisoyi

Kumar

2014

Nanoscience With Liquid Crystals

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Carbon nanotubes (CNTs) and graphene derivatives have created great expectations in terms of practical applications and advancement of science. Processing through liquid crystalline ordering of CNTs and graphenes is a promising opportunity to develop novel materials and applications with spontaneously aligned one dimensional (1D) (nanotubes) and two dimensional (2D) (graphene) carbon allotropes. This chapter presents the different methodologies that have been developed to achieve nematic liquid crystals of CNTs and graphene derivatives and their subsequent use for the fabrication of field effect transistors (FETs), and high performance carbon fibers etc. by processing via liquid crystalline route. Since carbon-based nanomaterials are being investigated in the right context of contemporary significance, it is optimistically anticipated that the combination of outstanding and unprecedented properties of carbon nanoforms with processability and alignment properties of liquid crystals can lead to some interesting materials and devices with promising properties and performances. IntroductionLiquid crystalline phase is a thermodynamically stable state of matter after solid, liquid and gas and is regarded as the fourth state of matter. Liquid crystalline phase possesses less ordering than crystalline state but more ordering than amorphous liquids. Interestingly, liquid crystals (LCs) share the anisotropic (direction dependent) property of crystalline solids and the fluidity of liquids. Owing to its

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Modeling the phase behavior of polydisperse rigid rods with attractive interactions with applications to single-walled carbon nanotubes in superacids

Cited by 71 publications

References 49 publications

Experimental realization of crossover in shape and director field of nematic tactoids

Experimental realization of crossover in shape and director field of nematic tactoids

Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Liquid Crystalline 1D and 2D Carbon Materials

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