Polyamides hold specific hydrogen-bonding interactions as the hierarchical thermodynamic driving forces for crystallization. Their roles in crystallization kinetics are worthy of further investigation. We performed dynamic Monte Carlo simulations to compare crystallization kinetics among 16-mer melts holding hydrogen-bonding interactions with variable strengths specifically assigned to 2, 4 and 8 monomers on the chain, respectively. The results demonstrate higher densities and strengths of hydrogen-bonding interactions generally accelerating the cooling and isothermal crystallization as well as the lateral growth of lamellar crystals, consistent with the experimental observations of polyamide crystallization. Too strong hydrogen-bonding interactions will slow down polymer diffusion and thus bring retardation to crystallization kinetics. Furthermore, hydrogen-bonding interactions at the central 8–9 monomers make higher crystal growth rates than those at the evenly distributed 5–12 monomers, demonstrating the dominant roles of specific interactions in the hierarchical parallel packing of polymer chains at the lateral growth front of lamellar crystals.

聚酰胺具有特定的氢键相互作用作为结晶的分级热力学驱动力。它们在结晶动力学中的作用值得进一步研究。我们进行了动态蒙特卡罗模拟，以比较具有氢键相互作用的 16 聚体熔体之间的结晶动力学，这些熔体具有专门分配给 2、4 和 8 个单体的不同强度分别上链。结果表明，较高的氢键相互作用密度和强度通常会加速冷却和等温结晶以及层状晶体的横向生长，这与聚酰胺结晶的实验观察结果一致。太强的氢键相互作用会减慢聚合物扩散，从而阻碍结晶动力学。此外，中心8-9个单体的氢键相互作用比均匀分布的5-12个单体的氢键相互作用产生更高的晶体生长速率，这证明了特定相互作用在聚合物链横向生长前沿的分层平行堆积中的主导作用。层状晶体。