First principle calculations of nanolayered ZnO polymorphs (Wurzite–, Zincblende–, Rocksalt–structures) in the scheme of density functional theory were performedwith the help of full potential linear augmented plane wave (FP-LAPW) method. Theexchange - correlation potential is described by generalized gradient approximation asproposed by Perdew–Burke–Ernzrhof (GGA–PBE) and modified Becke–Johns...

Abstract. We develop a general theory of the swelling kinetics of polymer gels, with the view that a polymer gel is a two-phase fluid. The model we propose is a free boundary problem and can be used to understand both contraction and swelling, including complete dissolving or dehydration of polymeric gels. We show that the equations of motion satisfy a minimum energy dissipation rate principle ...

Studies have shown that the reduction of wustite is limiting factor in ironmaking process, whether hydrogen-based shaft furnaces, hydrogen-rich blast furnaces or smelting vessels. The study thermodynamic conditions for molten by hydrogen great significance optimization energy saving and emission reduction. Previous studies mostly focused on at a lower temperature, but data high temperatures are...