Data‐driven prediction and optimization of liquid wettability of an initiated chemical vapor deposition‐produced fluoropolymer
Data‐driven prediction and optimization of liquid wettability of an initiated chemical vapor deposition‐produced fluoropolymer
复制标题
数据驱动的化学气相沉积生产的含氟聚合物的液体润湿性预测和优化
DOI：
10.1002/aic.17674
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发表时间：
2022
期刊：
影响因子：
3.7
通讯作者：
Soroush, Masoud
中科院分区：
文献类型：
--
作者：
Schwartz, Daniel;Nguyen, Tien;Chen, Zhengtao;Lau, Kenneth K.;Grady, Michael C.;Shokoufandeh, Ali;Soroush, Masoud
引发化学气相沉积 (iCVD) 是一种反应过程，利用气相单体和热引发剂在表面上生成聚合物材料。我们的 iCVD 合成聚（全氟癸基丙烯酸酯）（PPFDA）导致微米和纳米蠕虫垂直于表面生长。蠕虫的微米和纳米结构直接取决于 iCVD 工艺条件。它们反过来又影响整体特性，例如液体润湿性。目前缺乏可以解释 iCVD 工艺条件与聚合物本体特性之间关系的物理化学模型，这促使人们使用数据驱动的建模来捕获和描述这些关系。在这项工作中，我们报告了 49 个批次的 iCVD 数据（庚烷、辛烷和水在 PPFDA 和工艺条件下的接触角），并使用人工神经网络对这些关系进行建模。然后使用该模型来确定最佳 iCVD 工艺条件，以最大化 PPFDA 上的接触角。
Initiated chemical vapor deposition (iCVD) is a reactive process that creates polymeric materials on a surface from vapor‐phase monomers and thermal initiators. Our iCVD synthesis of poly(perfluorodecyl acrylate) (PPFDA) resulted in the growth of micro‐ and nano‐worms normal to the surface. The micro‐ and nanostructures of the worms directly depend on iCVD process conditions. They in turn influence bulk properties such as their liquid wettability. The current absence of a physiochemical model that can explain the relationships between iCVD process conditions and bulk properties of the polymers motivates the use of data‐driven modeling to capture and describe the relationships. In this work, we report iCVD data (contact angles of heptane, octane, and water on PPFDA and process conditions) from 49 batches and use artificial neural networks to model the relationships. The models are then used to determine the optimal iCVD process conditions that maximize the contact angles on PPFDA.