MATLAB程序定量模拟Polymer共混膜的纳米尺度自组装
A MATLAB Program for Quantitative Simulation of Self-assembly of Polymer Blend Films with Nano-scaled Features
摘要：
开发了一个用于模拟具有纳米尺度特征的聚合物共混物自组装的MATLAB程序。应用Cahn-Hilliard方程计算了聚合物共混体系的自由能分布。Flory-Huggins型能量用于估计局部自由能。该程序能够定量模拟聚合物共混物的相分离过程。程序中包括了基底功能化、溶剂挥发和聚合物材料性质等影响。该程序可以根据实际的实验工艺参数和材料特性来估计模型参数。模拟结果可以进行定量评估，并与实验结果与分析工具包括在程序中。
英文摘要：
A MATLAB program has been developed for simulation of polymer blend self-assembly with nano-scaled features. The Cahn-Hilliard equation is implemented to calculate the free energy profile of the polymer blends. The Flory-Huggins type of energy is used to estimate the local free energy. The program is capable of quantitatively simulate the phase separation of polymer blends. The effects such as the substrate functionalization, solvent evaporation, and polymer materials properties are included in the program. The program can estimate the model parameters from the real experimental processing parameters and the material properties. The simulation results can be evaluated quantitatively and compared with the experimental results with analysis tools included in the program.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
