Zhang S., Chen L., Zhu W., An R., 2018, Theoretical Model of Nonequilibrium Cluster Binding Energy to Optimize Chemical Properties, Chemical Engineering Transactions, 71, 223-228.
This paper builds three models about the surface volume ratio ?, the bonds ratio Ba / Bt and the binding energy Ec (N) of the Wulff construction with the total number of atoms, N, in the system as a variable. The results from model prediction are consistent with those from the appropriate cluster experiment and the computer simulation. In allusion to the uncertainty of the structure of atomic clusters, the geometric and energy models of Wulff structure are used to approximate the energy and morphology of clusters and optimize their chemical properties.
