Zhelun Ma

Molecular dynamics study on structural evolution and interfacial interactions of Ca 2+ -crosslinked alginate-silica composite gels for polishing applications

Molecular dynamics simulations reveal the encapsulation mechanism of silica particles within Ca²+-crosslinked alginate composites. Ca²+ forms stable bidentate coordination with carboxyl groups, constructing a three-dimensional network with favourable structural stability at a spe...