Results 61 to 70 of about 847,275 (294)

Molecular simulation of methane adsorption within illite minerals in the Longmaxi Formation shale based on a grand canonical Monte Carlo method and the pore size distribution in southeastern Chongqing, China

Journal of Natural Gas Geoscience, 2019
In order to investigate the pore structure and the adsorption capacity of illite with respect to the methane in the Longmaxi Formation, isothermal adsorption experiments utilizing mercury intrusion, liquid nitrogen, and low-temperature carbon dioxide ...
Xin Tang, Xiaoyi Zhou, Yujie Peng
doaj   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

The adsorption of nitrogen‐methane on molecular sieves [PDF]

AIChE Journal, 1964
No Abstract.
Lederman, Peter Bernd, Williams, Brymer
openaire   +2 more sources

Molecular Simulation of Methane Adsorption in Deep Shale Nanopores: Effect of Rock Constituents and Water

, 2023
The molecular models of nanopores for major rock constituents in deep shale were constructed. The microscopic adsorption behavior of methane was simulated by coupling the grand canonical Monte Carlo and Molecular Dynamics methods and the effect of rock ...
Chenglin Zhang, Chunyu Ren, Jian Zhang, Rui Jiang, Qin Yang, Liang Huang, Deliang Zhang, Jianfa Wu, Xuefeng Yang, Shan Huang, Shengxian Zhao, Dongchen Liu   +11 more
core   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Methane adsorption characteristic dependency on zeolite structures and properties [PDF]

, 2003
Adsorption of methane on zeolites constitutes a new area of research since it has industrial importance in process industries such as natural gas purification and adsorptive natural gas storage.
Mat, H., Kamarudin, K. S. N., Hamdan, H.
core  

Ferroelectric Catalysts in the Hydrogen Evolution Reaction: A Perspective

Advanced Science, EarlyView.
This perspective summarizes recent advances in ferroelectric (FE) catalysts for the hydrogen evolution reaction (HER). It first introduces HER fundamentals and FE mechanisms, then classifies FE catalysts into single‐phase, single‐atom‐modified, heterostructured, and other engineered types, with representative examples.
Rongxuan Lu, Weizhen Meng, Zhenxiang Cheng, Judy N. Hart, Michael Ferry, Sean Li, Wenxian Li   +6 more
wiley   +1 more source

Effect of particle size on high-pressure methane adsorption of coal

Petroleum Research, 2016
: Adsorbed gas cannot be neglected in the evaluation of coalbed methane and shale gas since a significant proportion of gas is stored in the form of adsorbed gas.
Jie Zou, Reza Rezaee
doaj   +1 more source