Dissipative particle dynamics (DPD) simulations are performed to study the phase transition of sodium dodecyl sulfate (SDS) in aqueous solution, which is an anionic surfactant commonly known as sodium dodecyl sulfate. In this work, the aim is to find a coarse-grained minimal model suitable to produce the full phase diagram of SDS. We examine the coarse-grained models of SDS, which have been used in earlier computational studies to produce the phases as well as for finding the critical micelle concentration (CMC) of SDS. We contrast the results based on these models with the experimental observations to assess their accuracy. Our research also takes into account the importance of sodium ions, which come from the partial dissociation of SDS, when dissolved in water. The effect of sodium ion has not been considered explicitly in the computational work done so far using dissipative particle dynamics. In light of the above explorations, we propose new models for SDS and demonstrate that they successfully produce a compendious SDS phase diagram, which can precisely overlay the experimental results.

We revisit the classic problem of the structure of the isotropic-nematic interface within Ginzburg-Landau-de Gennes theory, refining previous analytic treatments of biaxiality at the interface. We compare our analysis with numerical results obtained through a highly accurate spectral collocation scheme for the solution of the Landau-Ginzburg-de Gennes equations. In comparison to earlier work, we obtain improved agreement with numerics for both the uniaxial and biaxial profiles, accurate asymptotic results for the decay of biaxial order on both nematic and isotropic sides of the interface, and accurate fits to data from density-functional approaches to this problem.

We present numerical and analytic results for uniaxial and biaxial order at the isotropic-nematic interface within Ginzburg-Landau-de Gennes theory. We study the case where an oblique anchoring condition is imposed asymptotically on the nematic side of the interface, reproducing results of previous work when this condition reduces to planar or homoeotropic anchoring. We construct physically motivated and computationally flexible variational profiles for uniaxial and biaxial order, comparing our variational results to numerical results obtained from a minimization of the Ginzburg-Landau-de Gennes free energy. While spatial variations of the scalar uniaxial and biaxial order parameters are confined to the neighbourhood of the interface, nematic elasticity requires that the director orientation interpolate linearly between either planar or homoeotropic anchoring at the location of the interface and the imposed boundary condition at infinity. The selection of planar or homoeotropic anchoring at the interface is governed by the sign of the Ginzburg-Landau-de Gennes elastic coefficient L 2 . Our variational calculations are in close agreement with our numerics and agree qualitatively with results from density functional theory and molecular simulations.

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A variety of complex fluids under shear exhibit complex spatiotemporal behavior, including what is now termed rheological chaos, at moderate values of the shear rate. Such chaos associated with rheological response occurs in regimes where the Reynolds number is very small. It must thus arise as a consequence of the coupling of the flow to internal structural variables describing the local state of the fluid. We propose a coupled map lattice model for such complex spatiotemporal behavior in a passively sheared nematic liquid crystal using local maps constructed so as to accurately describe the spatially homogeneous case. Such local maps are coupled diffusively to nearest and next-nearest neighbors to mimic the effects of spatial gradients in the underlying equations of motion. We investigate the dynamical steady states obtained as parameters in the map and the strength of the spatial coupling are varied, studying local temporal properties at a single site as well as spatiotemporal features of the extended system. Our methods reproduce the full range of spatiotemporal behavior seen in earlier one-dimensional studies based on partial differential equations. We report results for both the one- and two-dimensional cases, showing that spatial coupling favors uniform or periodically time-varying states, as intuitively expected. We demonstrate and characterize regimes of spatiotemporal intermittency out of which chaos develops. Our work indicates that similar simplified lattice models of the dynamics of complex fluids under shear should provide useful ways to access and quantify spatiotemporal complexity in such problems, in addition to representing a fast and numerically tractable alternative to continuum representations.