使用修正时间增量蒙特卡洛模型的聚苯乙烯粒度分布

IF 2.9 4区 工程技术 Q1 MULTIDISCIPLINARY SCIENCES Advanced Theory and Simulations Pub Date : 2024-07-25 DOI:10.1002/adts.202400359
Soheyl Khajehpour-Tadavani, Hossein Abedini, Mehdi Nekoomanesh-Haghighi, Amanda Lemette Teixeira Brandão
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引用次数: 0

摘要

本研究采用动态蒙特卡洛(MC)模型预测单体液滴粒度分布(DSD)和聚合物粒度分布(PSD)的动态演变,在 MC 算法中,非反应型(液-液分散)和反应型系统都存在一个创造性的时间步骤。此外,还引入了一种组合方法作为第二种创造性策略,用于实施具有大量液滴的 MC 模拟。优化过程生成了无量纲模型参数(MPs),并应用于 MC 模拟。MC 算法与文献中的实验数据进行了验证。新颖的时间步长可以预测反应体系中单体液滴和聚合物颗粒的动态演变,并缩短模拟时间。组合方法是混合相同或不同数量液滴以减少 MC 模拟时间消耗的绝佳策略。非凡的研究结果证明了模型的有效性以及时间步长和组合策略的有效性。
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Polystyrene Particle Size Distribution with the Use of Modified Time Increment Monte Carlo Model

In the present study, a dynamic Monte Carlo (MC) model is applied for predicting the dynamic evolution of monomer Droplet Size Distribution (DSD) and polymer Particle Size Distribution (PSD) within the presence of an inventive time step in the MC algorithm for both non-reactive (liquid–liquid dispersion) and reactive systems. Besides, a combining approach as a second inventive strategy is introduced for implementing the MC simulation with a high number of droplets. An optimization process generated the dimensionless Model Parameters (MPs) and is applied to the MC simulation. The MC algorithm is validated with the experimental data from the literature. The novel time step can predict the dynamic evolution of monomer droplets and polymer particles in the reactive systems and diminish the time of the simulation. The combining approach is an excellent strategy for mixing the same or different number of droplets for decreasing time consumption of MC simulation. Extraordinary findings depicted the model's effectiveness and the validity of the time step and combining strategies.

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来源期刊
Advanced Theory and Simulations
Advanced Theory and Simulations Multidisciplinary-Multidisciplinary
CiteScore
5.50
自引率
3.00%
发文量
221
期刊介绍: Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics
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