Accelerated Porosity Screening Using a Multichannel Colorimetric Array

Yushu Han, Dr. Isaiah Borne, Dr. Biplab Dutta, Rob Clowes, Dr. Hang Qu, Dr. Alex James, Dr. Charlotte E. Boott, Dr. Marc A. Little, Prof. Andrew I. Cooper
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Abstract

Porous materials are important for many technologies, but the measurement of porosity by gas adsorption isotherms is slow, taking around one day per sample using a single-port gas sorption analyzer, even when using a “quick” analysis method with relatively few data points. With the increased use of automated platforms for material generation, porosity analysis is now frequently the bottleneck in the discovery of new porous materials. Here, we present a semiautomated pre-screening strategy that uses dye adsorption to create a colorimetric array that is combined with computer vision analysis for porosity screening. By using a six-dye multichannel array and a defined porosity threshold, our method rapidly screened 50 candidate materials that spanned molecular solids, polymers, and metal–organic frameworks. The method showed a 98–100% classification accuracy compared with gas uptake measurements. While this method is more qualitative than quantitative, it is more than 30 times faster than conventional gas sorption measurements, and it has the scope to be made much faster with greater parallelization and automation. This makes this colorimetric method suitable for pre-screening arrays of materials to choose samples that merit more detailed conventional porosity analysis.

Abstract Image

使用多通道比色阵列加速孔隙度筛选
多孔材料对许多技术都很重要,但通过气体吸附等温线测量孔隙度很慢,使用单端口气体吸附分析仪每个样品需要大约一天的时间,即使使用相对较少数据点的“快速”分析方法。随着自动化材料生成平台的使用越来越多,孔隙度分析现在经常成为发现新多孔材料的瓶颈。在这里,我们提出了一种半自动预筛选策略,该策略使用染料吸附来创建比色阵列,并结合计算机视觉分析进行孔隙度筛选。通过使用六染料多通道阵列和确定的孔隙率阈值,我们的方法快速筛选了50种候选材料,涵盖了分子固体、聚合物和金属有机框架。与气体吸收测量相比,该方法的分类准确率为98-100%。虽然这种方法定性多于定量,但它比传统的气体吸附测量快30倍以上,并且具有更高的并行化和自动化,可以更快地进行测量。这使得该比色法适用于预先筛选材料阵列,以选择值得更详细的常规孔隙度分析的样品。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Angewandte Chemie
Angewandte Chemie 化学科学, 有机化学, 有机合成
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1 months
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