通过再参数化PC-SAFT状态方程,建立了丙烯-氢气-聚丙烯体系各组分物性的计算方法。以文献数据为基准,利用Polym er P lus软件平台,分别得到了丙烯、氢气、聚丙烯纯组分的PC-SAFT方程的模型参数,包括链段数m、链段直径σ、能量参数ε/kB...通过再参数化PC-SAFT状态方程,建立了丙烯-氢气-聚丙烯体系各组分物性的计算方法。以文献数据为基准,利用Polym er P lus软件平台,分别得到了丙烯、氢气、聚丙烯纯组分的PC-SAFT方程的模型参数,包括链段数m、链段直径σ、能量参数ε/kB以及丙烯-氢气两组分相平衡的二元交互参数kij。结果表明,采用再参数化的PC-SAFT状态方程计算丙烯、氢气热力学性质的精度优于经典的Peng-Rob inson方程。展开更多
Monte Carlo simulation technique was used to simulate the scenarios of the very beginning of a particle in RAFT seeded emulsion polymerization. It was first found that by introducing a high reactive RAFT agent, a larg...Monte Carlo simulation technique was used to simulate the scenarios of the very beginning of a particle in RAFT seeded emulsion polymerization. It was first found that by introducing a high reactive RAFT agent, a large number of free radical need to be captured by the particle before polymerization starts up. The phenomenon was ascribed to the high reactivity of RAFT agent and fast exit of fragmented group of the original RAFT agent. The simulations could be successfully used to explain an unexpected long induction period and polymerization retardation reported. The results of this study will be of particular use in understanding and design of RAFT emulsion polymerization.展开更多
文摘通过再参数化PC-SAFT状态方程,建立了丙烯-氢气-聚丙烯体系各组分物性的计算方法。以文献数据为基准,利用Polym er P lus软件平台,分别得到了丙烯、氢气、聚丙烯纯组分的PC-SAFT方程的模型参数,包括链段数m、链段直径σ、能量参数ε/kB以及丙烯-氢气两组分相平衡的二元交互参数kij。结果表明,采用再参数化的PC-SAFT状态方程计算丙烯、氢气热力学性质的精度优于经典的Peng-Rob inson方程。
文摘Monte Carlo simulation technique was used to simulate the scenarios of the very beginning of a particle in RAFT seeded emulsion polymerization. It was first found that by introducing a high reactive RAFT agent, a large number of free radical need to be captured by the particle before polymerization starts up. The phenomenon was ascribed to the high reactivity of RAFT agent and fast exit of fragmented group of the original RAFT agent. The simulations could be successfully used to explain an unexpected long induction period and polymerization retardation reported. The results of this study will be of particular use in understanding and design of RAFT emulsion polymerization.
