Properties of interfacial and confined water
Water plays a fundamental role in biological and chemical processes, and its behavior at interfaces or in confined environments differs significantly from that in bulk. Interfacial water refers to the water molecules in proximity to a surface, while confined water is enclosed within nanoscale spaces, such as biological membranes, pores, or protein cavities. These environments alter the structural and dynamic properties of water, influencing its hydrogen-bond network, dielectric constant, and phase behavior.
The unique properties of interfacial and confined water are critical in various biological and technological contexts. In biological systems, water near biomolecular surfaces modulates protein folding, stability, and interactions. In materials science, confined water affects the performance of nanomaterials and energy storage devices. Understanding how water behaves under these conditions is essential for advancing fields like drug delivery, catalysis, and biomaterials design.
Computational approaches, including molecular dynamics simulations and ab initio methods, are instrumental in probing the molecular-level properties of interfacial and confined water. These techniques allow researchers to explore water's structure, dynamics, and thermodynamics, revealing how confinement and surface interactions reshape its behavior. By elucidating these properties, computational studies provide critical insights into the role of water in biological processes and technological applications, facilitating the design of systems that harness or control interfacial water behavior.
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