Thermodynamic rules for zeolite formation from machine learning based global optimization-Reference-Cited by-同舟云学术

Thermodynamic rules for zeolite formation from machine learning based global optimization

Published:2020 Issue:37 Volume:11 Page:10113-10118
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Ma Sicong¹²³⁴⁵^ORCID,Shang Cheng¹²³⁴⁵^ORCID,Wang Chuan-Ming⁶⁷⁸⁹^ORCID,Liu Zhi-Pan¹²³⁴⁵^ORCID

Affiliation:

1. Collaborative Innovation Center of Chemistry for Energy Material

2. Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials

3. Key Laboratory of Computational Physical Science

4. Department of Chemistry

5. Fudan University

6. State Key Laboratory of Green Chemical Engineering and Industrial Catalysis

7. Sinopec Shanghai Research Institute of Petrochemical Technology

8. Shanghai

9. China

Abstract

Machine learning based atomic simulation explores more than one million minima from global potential energy surface of SiAlPO system, and identifies thermodynamics rules on energetics, framework and composition for stable zeolite.

Funder

National Natural Science Foundation of China

National Basic Research Program of China

China Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC03918G

Reference42 articles.

1. Directing Zeolite Structures into Hierarchically Nanoporous Architectures

2. Structures and Templating Effect in the Formation of 2D Layered Aluminophosphates with Al3P4O163- Stoichiometry

3. Rational Synthesis of Microporous Aluminophosphates with an Inorganic Open Framework Analogous to Al4P5O20H·C6H18N2

4. Rational Approaches toward the Design and Synthesis of Zeolitic Inorganic Open-Framework Materials

5. Solvent-Free Synthesis of Silicoaluminophosphate Zeolites

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Predictive thermochemistry of Zeolitic materials using accessible practical procedures;Chemical Thermodynamics and Thermal Analysis;2024-09

2. Selective production of light α-olefins and long-chain α-olefins from CO2/H2 and CO/H2 over iron-based catalysts: Effects of Na2S and H2O;Journal of Catalysis;2024-08

3. A New Class of Filled Functions with Two Parameters for Solving Unconstrained Global Optimization Problems;Journal of the Operations Research Society of China;2024-07-10

4. Kinetic and Thermodynamic Transition Pathways of Silica by Machine Learning: Implication for Meteorite Impacts;Journal of Geophysical Research: Solid Earth;2024-03

5. Machine Learning Prediction of Transition-State Energies in Small-Pore Zeolites Combining Acidity and Topology Descriptors;The Journal of Physical Chemistry C;2024-02-21