Process monitoring of zeolite crystallization: Bridging in situ Raman spectroscopy, ex situ XRD, and predictive machine learning models

Nicolás Coca-López; Fileto Rodriguez; Lars F. Lundegaard; Xiang li; Enrique Lozano Diz; Søren B. Rasmussen; Frederik Tielens; Monica Calatayud; Miguel A Banares; Raquel Portela; Pablo Beato

doi:10.1016/j.cej.2026.177865

May 1, 2026Chemical Engineering JournalOpen Access

Process monitoring of zeolite crystallization: Bridging in situ Raman spectroscopy, ex situ XRD, and predictive machine learning models

View Full Paper

Ask AI

Bookmark

Share

Key Points

The aim is to monitor zeolite crystallization processes using advanced spectroscopic and machine learning techniques.
In situ Raman spectroscopy for real-time monitoring of interzeolite conversion.
Ex situ X-ray diffraction (XRD) for quantitative phase analysis.
Non-negative least squares (NNLS) analysis to extract zeolite evolution from Raman data.
Raman-based phase fractions correlate significantly with ex situ XRD quantification.
NNLS analysis successfully captures the evolution of FAU/GIS zeolite frameworks.
Density functional theory (DFT) modeling provides insights into framework-specific Raman signatures.

Implication

Demonstrates effective phase monitoring in zeolite crystallization, indicating improved modeling accuracy.

Abstract

• In situ Raman spectroscopy enables real-time monitoring of interzeolite conversion • Raman-based phase fractions strongly correlate with ex situ XRD quantification • NNLS analysis extracts FAU/GIS evolution using only reference Raman spectra • DFT vibrational modeling explains framework-specific Raman signatures

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Coca-López et al. (2026) studied this question.

synapsesocial.com/papers/6a1d22bb02fbce913063865e https://doi.org/10.1016/j.cej.2026.177865

View Full Paper

Ask AI

Bookmark

Share

Process monitoring of zeolite crystallization: Bridging in situ Raman spectroscopy, ex situ XRD, and predictive machine learning models

Key Points

Implication

Abstract

Discussion

Cite This Study

Process monitoring of zeolite crystallization: Bridging in situ Raman spectroscopy, ex situ XRD, and predictive machine learning models

Key Points

Implication

Abstract

Discussion

Cite This Study

Keep reading

Keep reading