二元链状分子吸附的Monte Carlo模拟

在格子模型中，采用计算机模拟方法了二元链状分子系统在固体表面的吸附行为。从微观角度获得了系统在达到平衡之前的动态吸附过程，得到了链长不等的两种键状 固体表面附近的总链节浓度与吸附构型浓度的平衡分布。研究结果表明，开始时，短链分子优先被吸附，此后逐渐被长链分子所取代；长链分子的吸附更有利于系统的稳定。

Monte Carlo Simulations for the Adsorption of Two component Chain Molecules

Based on lattice model,Monte Carlo simulations have been taken to explore the performances of two component chain molecules for competitive adsorption on solid surface.The dynamic process of adsorption before equilibrium is traced.The segment distribution and configuration distribution of two unequal length chain molecules at equilibrium are obtained.It is found that the shorter chains are preferably adsorbed due to its quick diffusion to the surface at the beginning of simulation,however,the adsorbed shorter chains are displaced by the longer ones later,which can enhance the system with further stability.