Reactive chromatography is an attractive method for chemical synthesis because chemical reactions and product separation occur simultaneously in the same unit. In this work, the synthesis of triacetine, starting from glycerol and acetic acid, using reactive chromatography on acidic polymeric resins is investigated. The study proceeds first to the characterization of the adsorption equilibria of the involved multicomponent mixtures and then to the study of the kinetics of the relevant reactions using a batch reactor. Next, the separation−reaction process is investigated using a fixed-bed chromatographic column. The obtained data are compared with the predictions of a mathematical model, whose kinetic and equilibrium parameters were estimated from the batch experiments mentioned above. It is shown that, although this synthesis requires three steps in series, the chromatographic reactor can produce high-purity (i.e., food-grade) triacetine with high conversions. It is found that the presence of water in the resin at the end of the regeneration step has a strongly detrimental effect on the final triacetine purity.

First, a meshless simulation method is presented for multiphase fluid-particle flows with a two-way coupled Smoothed Particle Hydrodynamics (SPH) for the fluid and the Discrete Element Method (DEM) for the solid phase. The unresolved fluid model, based on the locally averaged Navier Stokes equations, is expected to be considerably faster than fully resolved models. Furthermore, in contrast to similar mesh-based Discrete Particle Methods (DPMs), our purely particle-based method enjoys the flexibility that comes from the lack of a prescribed mesh. It is suitable for problems such as free surface flow or flow around complex, moving and/or intermeshed geometries and is applicable to both dilute and dense particle flows.Second, a comprehensive validation procedure for fluid-particle simulations is presented and applied here to the SPH-DEM method, using simulations of single and multiple particle sedimentation in a 3D fluid column and comparison with analytical models. Millimetre-sized particles are used along with three different test fluids: air, water and a water-glycerol solution. The velocity evolution for a single particle compares well (less than 1% error) with the analytical solution as long as the fluid resolution is coarser than two times the particle diameter. Two more complex multiple particle sedimentation problems (sedimentation of a homogeneous porous block and an inhomogeneous Rayleigh Taylor instability) * Corresponding author are also reproduced well for porosities 0.6 ≤ ǫ ≤ 1.0, although care should be taken in the presence of high porosity gradients.Overall the SPH-DEM method successfully reproduces quantitatively the expected behaviour in the test cases, and promises to be a flexible and accurate tool for other, realistic fluid-particle system simulations.

We present a three-dimensional distinct element model (DEM) able to handle populations of spherocylinders. We report on granular crystallization occurring when vibrating mono-disperse assemblies of spherocylinders that faithfully reproduce the corresponding results of physical experiments from the literature.

The wetting dynamics of a solvent on a soluble substrate interestingly results from the rates of the solvent transfers into the substrate. When a supported film of a hydrosoluble polymer with thickness e is wet by a spreading droplet of water with instantaneous velocity U, the contact angle is measured to be inversely proportionate to the product of thickness and velocity, eU, over two decades. As for many hydrosoluble polymers, the polymer we used (a polysaccharide) has a strongly nonlinear sorption isotherm φ(a(w)), where φ is the volume fraction of water in the polymer and aw is the activity of water. For the first time, this nonlinearity is accounted for in the dynamics of water uptake by the substrate. Indeed, by measuring the water content in the polymer around the droplet φ at distances as small as 5 μm, we find that the hydration profile exhibits (i) a strongly distorted shape that results directly from the nonlinearities of the sorption isotherm and (ii) a cutoff length ξ below which the water content in the substrate varies very slowly. The nonlinearities in the sorption isotherm and the hydration at small distances from the line were not accounted for by Tay et al., Soft Matter 2011, 7, 6953. Here, we develop a comprehensive description of the hydration of the substrate ahead of the contact line that encompasses the two water transfers at stake: (i) the evaporation-condensation process by which water transfers into the substrate through the atmosphere by the condensation of the vapor phase, which is fed by the evaporation from the droplet itself, and (ii) the diffusion of liquid water along the polymer film. We find that the eU rescaling of the contact angle arises from the evaporation-condensation process at small distances. We demonstrate why it is not modified by the second process.

We investigate the wicking in granular media by considering layers of grains at the surface of a liquid and discuss the critical contact angle below which spontaneous impregnation takes place. This angle is found to be on the order of 55° for monodisperse layers, significantly smaller than 90°, the threshold value for penetrating assemblies of tubes. Owing to geometry, impregnating grains is more demanding than impregnating tubes. We also consider the additional effects of polydispersity and pressure on this wetting transition and discuss the corresponding shift observed for the critical contact angle.