Abstract
Direct visualization of spatiotemporal evolution of molecules and active sites during chemical transformation in individual catalyst crystal will accelerate the intuitive understanding of heterogeneous catalysis. So far, widespread imaging techniques can only provide limited information either with large probe molecules or in model catalyst of large size, which are beyond the interests of industrial catalysis. Herein, we demonstrate a feasible deep data approach via synergy of multiscale reaction-diffusion simulation and super-resolution structured illumination microscopy to illustrate the dynamical evolution of spatiotemporal distributions of gas molecules, carbonaceous species and acid sites in SAPO-34 zeolite crystals of several micrometers that are typically used in industrial methanol-to-olefins process. The profound insights into the inadequate utilization of activated acid sites and rapid deactivation are unveiled. The notable elucidation of molecular reaction-diffusion process at the scale of single catalyst crystal via this approach opens an interesting method for mechanism study in materials synthesis and catalysis.
Highlights
Direct visualization of spatiotemporal evolution of molecules and active sites during chemical transformation in individual catalyst crystal will accelerate the intuitive understanding of heterogeneous catalysis
The confocal fluorescence microscopy (CFM), which shows extraordinary potential in life science[20,21], was demonstrated capable of capturing mobile trajectories of individual conjugated macromolecule in meso- and macro-pore of fluid catalytic cracking (FCC) catalyst pellets[10], and spatiotemporal evolution of carbonaceous species in model zeolite crystal in methanol-to-olefins (MTO) and FCC reactions[18,22,23]
In the deep data approach considered in this work (Fig. 1a), a multiscale reaction–diffusion model provides a link of MTO reaction observed at different length-scales
Summary
Direct visualization of spatiotemporal evolution of molecules and active sites during chemical transformation in individual catalyst crystal will accelerate the intuitive understanding of heterogeneous catalysis. A multiscale reaction–diffusion model recently developed for an individual catalyst crystal scale[4,27,28,29], which integrates the material properties, reaction kinetics and molecular transport, and adsorption[4,27,28,29], is implemented in this work. Implementation of deep data approach can attain a thorough insight of the evolutions of chemicals and acid sites inside a single catalyst
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