We study numerically and experimentally the penetration and evaporation dynamics of droplets wicking into a thin double-layered porous material with order-of-magnitude difference in the physical properties between the layers. We show that such double-layered porous materials can be used to create highly asymmetrical wicking properties, preventing liquid droplets wicking from one surface to the other, while allowing wicking in the reverse direction. In addition, these double-layered porous materials are shown to reduce the evaporation time of droplets penetrating into the porous material, compared with a single-layered porous material of equal thickness and physical properties similar to either of the layers.

A computational fluid dynamics model based on a finite difference solution to mass and momentum conservation equations (Navier–Stokes equations) for a liquid droplet transport between two porous or nonporous contacting surfaces (CSs) is developed. The CS dynamic (equation of motion) and the spread of the incompressible liquid available on the primary surface for transfer are coupled with the Navier–Stokes equations. The topologies of the spread dynamic between and inside both surfaces (primary and CSs) are compared with experimental data. The amount of mass being transferred into the CS, predicted by the model, is also compared to the experimental measurements. The impact of the initial velocity on the spread topology and mass transfer into the pores is addressed. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2346–2353, 2014

A general‐purpose multiphase and multicomponent computer model was developed for simulation of the spread, evaporation, and chemical reaction of sessile droplet(s) in porous substrates. In the model, chemical reactions were allowed in or between any of the liquid, gas, or solid phases present. The species mass and momentum conservation equations were solved on a finite difference mesh representing the domain. These equations were marched in time using the Runge–Kutta fourth‐order method. The model's function was studied via simulation of experiments, both those performed by the authors and found in the literature. These simulations demonstrated a quantitative match to the time history of product evolution and a similar spread of liquid reactants. The model may be particularly beneficial for predicting the extent of contamination and the possible threat outcomes of those chemical agents that are harmful when introduced into the environment. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2557–2565, 2014

The possible threat posed by terrorists using chemical warfare agents (CWAs) against civilian targets is a major concern, reflecting the fact that CWAs are highly toxic to unprotected populations, with releases as vapors or aerosols likely to produce mass casualties on a highly localized basis within minutes or hours after an incident. A conceptual site model is developed and mixed model regression is used to estimate concentration values for the vesicant sulfur mustard (HD) based on the output from computational fluid dynamics (CFD) simulation following wind tunnel experimentation. The analysis provides a first-approximation of the spatial and temporal distribution of potential exposures within a set of 50 m × 50 m × 2 m grids across a 1000 m width by 300 m height by 2250 m length domain in a geographic information system (GIS) environment. The HD concentration values are calculated as log-averaged mean and the 95% confidence intervals for each grid at 1.9 d and 6.0 d after initial release. The technique offers a statistically valid means for rapidly generating unbiased first-approximations of concentration values subsequent to an initial release as an alternative to extensive monitoring or multiple runs of CFD models to parameterize potential exposure to HD spatially and temporally.

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