材料基因工程技术在分子筛领域中的应用

材料基因工程是近年来材料领域兴起的前沿技术, 其基本理念是融合材料高通量计算、 高通量实验和数据技术加速新材料的设计和研发. 分子筛作为一种重要的化工材料, 因其良好的热稳定性、 较高的比表面积、 独特的孔道结构及可调变的元素组成和酸性, 在气体吸附、 分离、 异相催化和离子交换等工业领域应用广泛. 近年来, 融合高通量计算、 高通量实验和数据库技术的材料基因工程技术正逐步应用于分子筛研发等领域: 高通量计算能够从理论上预测并筛选出具有优异性能的分子筛合成目标、 高通量实验显著提升了分子筛材料合成与表征的效率、 数据库技术则为未来挖掘分子筛材料的合成规律与构效关系奠定了数据基础. 本文主要从这3个方面阐述材料基因工程技术在分子筛材料研发领域的应用及进展, 总结以功能为导向、 定向设计和构筑分子筛材料所面临的机遇与挑战, 并对材料基因工程技术在分子筛领域的前景进行了展望.

Applications of Materials Genome Engineering in Zeolites

Materials genome engineering integrates high-throughput computation， high-throughput experimentation and data technology to accelerate the design and development of new materials. As an important family of microporous materials， zeolites have been widely used in gas adsorption， separation， heterogeneous catalysis and ion exchange because of their excellent thermal stabilities， high specific surface areas， unique well- defined porous structures， and tunable framework compositions and acidities. To facilitate the development of novel zeolitic materials， materials genome engineering technology has recently been applied in many different areas in zeolite research. In this review， we will discuss about the recent progress in high-throughput computation， high-throughput experimentation and database of zeolites. Our perspectives on the future development of materials genome engineering of zeolites will be provided in the last section.