论文标题
缔合聚合物的键渗透过渡的通用模型
Generalized models for bond percolation transitions of associative polymers
论文作者
论文摘要
具有贴纸和间隔架构的关联聚合物经历相变的相变,将相位分离和键合渗透结合在一起。在这里,我们概括了键合的平均场模型,并从特定蛋白质的实验数据中提取有效的贴纸相互作用强度。我们使用基于图的蒙特卡洛模拟来评估平均场模型忽略的效果。这些包括键合的定义为对新键的强度(物理交联)的变化,鉴于存在先前的键。我们发现,债券的合作性从根本上改变了相位行为,尤其是在补充贴纸价值的亚化学计量方案中。
Associative polymers with sticker-and-spacer architectures undergo phase transitions that combine phase separation and bond percolation. Here, we generalize mean-field models for bond percolation and extract effective sticker interaction strengths from experimental data for specific proteins. We use graph-based Monte Carlo simulations to evaluate effects ignored by mean-field models. These include bond cooperativity defined as changes to strengths of new bonds (physical crosslinks) given the presence of a prior bond. We find that bond cooperativity fundamentally alters phase behavior, especially in sub-stoichiometric regimes for valencies of complementary stickers.