Optimizing silver nanowire synthesis: machine learning improves and predicts yield for a polyol, millifluidic flow reactor
Optimizing silver nanowire synthesis: machine learning improves and predicts yield for a polyol, millifluidic flow reactor
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DOI：
10.1007/s13204-023-02959-3
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发表时间：
2023-08
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通讯作者：
Destiny F. Williams;N. Rahimi;J. Smay;Shohreh Hemmati
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文献类型：
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作者：
Destiny F. Williams;N. Rahimi;J. Smay;Shohreh Hemmati
本研究强调优化多元醇反应条件，以产生100%的银纳米线（AgNW）的产量（AgNW计数/所有纳米结构计数）使用毫流控流动反应器（MFR）。长度和直径均匀的AgNW可能提供低成本、透明且柔性的导体。由于反应环境的尺寸减小，MFRs产生具有上级均匀性、产率和浓度的AgNW。考虑多元醇反应温度和三种试剂浓度的统计实验设计（DoE）优化了工艺。通过扫描电子显微镜（SEM）表征AgNW以计算每次反应的AgNW产率。完成DoE后，将计算的产量输入Minitab统计软件进行分析。Minitab发现最佳反应条件为T = 170 °C，[AgNO 3] = 0.177 M，[CuCl 2] = 6.05 mM，[PVP] = 0.224 M，R2值为85%。DoE的结果被导入到监督决策树（DT）和随机森林（RF）机器学习（ML）算法中。DT和RF预测的AgNW给定的反应温度和试剂浓度的产率与96.9%和97.5%的准确度，分别。最佳多元醇反应条件下合成的AgNW产率为100%，平均浓度为16 mg/mL，长度为32 µm（σ± 3.5 µm），直径为68 nm（σ± 12 nm），长径比为475。
This study highlights optimizing polyol reaction conditions to produce 100% silver nanowire (AgNW) yields (AgNWs count/all nanostructure count) using a millifluidic flow reactor (MFR). AgNWs of uniform length and diameter offer potentially low-cost, transparent, and flexible conductors. MFRs produce AgNWs with superior uniformity, yield, and concentration due to the reduced dimensions of the reaction environment. A statistical design of experiments (DoE) considering polyol reaction temperature and the three reagent concentrations optimized the process. The AgNWs are characterized by scanning electron microscopy (SEM) to calculate the yield of AgNWs per reaction. After completing the DoE, calculated yields are put into Minitab statistical software for analysis. Minitab discovered the optimal reaction conditions to beT= 170 °C, [AgNO3] = 0.177 M, [CuCl2] = 6.05 mM, and [PVP] = 0.224 M, with anR2value of 85%. Results of the DoE were imported into supervised decision tree (DT) and random forest (RF) machine learning (ML) algorithms. The DT and RF predicted yields of AgNWs given reaction temperature and reagent concentrations with 96.9% and 97.5% accuracy, respectively. The optimal polyol reaction conditions synthesized 100% AgNW yield with average concentrations of 16 mg/mL, lengths of 32 µm (σ± 3.5 µm), diameters of 68 nm (σ± 12 nm), and aspect ratios of 475.