Dynamics of Water Intrusion in Polyelectrolyte-Bound Kaolinite: An Insight into Durability Mechanisms via Atomistic Modeling.

This research addresses interaction mechanisms of water-soluble polymers used as soil mineral stabilizers via atomistic classical molecular dynamics (MD). Specifically, this study addresses polyelectrolyte interactions with kaolinite, a ubiquitous clay mineral, in soils. The two water-soluble polymeric species evaluated are PSS: poly(4-sodium styrenesulfonate) and PDADMAC: poly(diallyldimethylammonium chloride).

Quantum Chemical Modeling of the Effects of Hydrated Lime (Calcium Hydroxide) as a Filler in Bituminous Materials.

Hydrated lime is widely used as a mineral filler to improve several properties of bituminous materials such as reducing the susceptibility of the composite to moisture-induced damage. Although experimental evidence supports the efficacy of using hydrated lime as a mineral filler, the molecular scale mechanism of reactivity of hydrated lime within the bitumen to reduce moisture damage is not understood. This is important when considering the durability of structural applications of bituminous materials such as asphalt concrete pavements subjected to both environmental and loading extremes.