skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective

Abstract

Mature applications such as fluid catalytic cracking and hydrocracking rely critically on early zeolite structures. With a data-driven approach, we find that the discovery of exceptional zeolite framework types around the new millennium was spurred by exciting new utilization routes. The promising processes have yet not been successfully implemented (“valley of death” effect), mainly because of the lack of thermal stability of the crystals. As a result, this foreshadows limited deployability of recent zeolite discoveries that were achieved by novel crystal synthesis routes.

Authors:
 [1];  [2]
  1. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  2. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, IMDEA Materials Institute, Getafe, Madrid, Spain
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1253207
Alternate Identifier(s):
OSTI ID: 1363642
Grant/Contract Number:  
FG02-12ER16362; SC0008688
Resource Type:
Published Article
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Name: Crystal Growth and Design Journal Volume: 16 Journal Issue: 6; Journal ID: ISSN 1528-7483
Publisher:
American Chemical Society
Country of Publication:
France
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; zeolites

Citation Formats

Zimmermann, Nils E. R., and Haranczyk, Maciej. History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective. France: N. p., 2016. Web. doi:10.1021/acs.cgd.6b00272.
Zimmermann, Nils E. R., & Haranczyk, Maciej. History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective. France. doi:10.1021/acs.cgd.6b00272.
Zimmermann, Nils E. R., and Haranczyk, Maciej. Fri . "History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective". France. doi:10.1021/acs.cgd.6b00272.
@article{osti_1253207,
title = {History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective},
author = {Zimmermann, Nils E. R. and Haranczyk, Maciej},
abstractNote = {Mature applications such as fluid catalytic cracking and hydrocracking rely critically on early zeolite structures. With a data-driven approach, we find that the discovery of exceptional zeolite framework types around the new millennium was spurred by exciting new utilization routes. The promising processes have yet not been successfully implemented (“valley of death” effect), mainly because of the lack of thermal stability of the crystals. As a result, this foreshadows limited deployability of recent zeolite discoveries that were achieved by novel crystal synthesis routes.},
doi = {10.1021/acs.cgd.6b00272},
journal = {Crystal Growth and Design},
number = 6,
volume = 16,
place = {France},
year = {2016},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acs.cgd.6b00272

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share: