Nitta Koh-Hei
Division of Natural System, Institute of Science and Engineering, Kanazawa University, Kakuma Campus, Kanazawa 920-1192, Japan.
Polymers (Basel). 2016 Jun 8;8(6):229. doi: 10.3390/polym8060229.
In order to understand orientation-induced crystallization of polymers, we introduced an intermolecular interaction between polymer chains based on quantum mechanics. We therefore considered a pair of perfectly extended chains where the intermolecular interaction is assumed to be based on the hydrogen interaction with a single chain. When two protons of each extended chain become closer together under tension, the attractive force between the extended chains is caused by the interaction between hydrogen atoms surrounding the main chains based on the hydrogen molecule ion H 2 + . The energy is split into the ground and excited states, and the spontaneous process leading to the ground state is the origin for orientation-induced crystallization.
为了理解聚合物的取向诱导结晶，我们基于量子力学引入了聚合物链间的分子间相互作用。因此，我们考虑了一对完全伸展的链，其中分子间相互作用假定基于与单链的氢键相互作用。当每个伸展链的两个质子在张力作用下彼此靠近时，伸展链之间的吸引力是由基于氢分子离子H₂⁺围绕主链的氢原子之间的相互作用引起的。能量分裂为基态和激发态，导致基态的自发过程是取向诱导结晶的起源。
