从分子水平的角度看天然气水合物形成问题.pptVIP

* Formation of Gas Hydrates: A Molecular Level Perspective Homogeneous Heterogeneous How Modelling Crystallization how? when? Does Nature Find Order? ????G* ?? -20 0 Homogeneous Nucleation Classical nucleation theory ? assumes the initial crystal forms as a well-defined spherical nucleus (radius R) 40 0 20 60 80 20 ?G 40 R ?G(R ) ? V(R ) ?s ?? ? A(R ) ? volume/bulk term surface term ?G* max ?G* : critical nucleus Rate: J ? ? exp?? ?? ?? kT ?? Note that the Levinthal paradox (for proteins) assumes approach #1. But is this realistic for real systems? Si