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We present experimental constraints on the insertion of oxygen atoms into methane to form methanol in astrophysical ice analogs. In gas-phase and theoretical studies this process has previously been demonstrated to have a very low or…

Earth and Planetary Astrophysics · Physics 2017-08-23 Jennifer B. Bergner , Karin I. Oberg , Mahesh Rajappan

Methane (CH4) and nitrous oxide (N2O) are potent greenhouse gases that represent substantial chemical energy. Conversion of these abundant waste gases to high-value chemicals typically requires high temperatures up to 1000 C, producing…

Fundamental anionic, cat-ionic, and neutral atomic metal predictions utilizing density functional theory calculations validate the recent discovery identifying the interplay between the resonances and the RT minimum obtained through complex…

Atomic and Molecular Clusters · Physics 2014-10-21 Kelvin Suggs , Filmon Kiros , Aaron Tesfamichael , Zineb Felfli , Alfred Z. Msezane

Methane pyrolysis provides a scalable alternative to conventional hydrogen production methods, avoiding greenhouse gas emissions. However, high operating temperatures limit economic feasibility on an industrial scale. A major scientific…

Methanol (CH$_{3}$OH) is a key complex organic molecule (COM) in the interstellar medium, widely used as a tracer of dense gas and hot molecular cores (HMCs). Using high-resolution ALMA observations from the ATOMS survey, we investigate the…

Oxygen atom addition and insertion reactions may provide a pathway to chemical complexity in ices that are too cold for radicals to diffuse and react. We have studied the ice-phase reactions of photo-produced oxygen atoms with C2…

Earth and Planetary Astrophysics · Physics 2019-04-03 Jennifer B. Bergner , Karin I. Oberg , Mahesh Rajappan

Decomposition of methane using non-thermal plasmas is an attractive route for producing hydrogen-rich gases and valuable carbon nanomaterials. Understanding how plasma discharge modes influence methane decomposition in optimizing…

Plasma Physics · Physics 2025-11-17 Sophia Gershman , Mikhail N. Shneider , Yevgeny Raitses

Exploring the impact of alcohol additives on combustion and pyrolysis of ammonia/methane is of great importance in the pursuit of sustainable energy technologies. This work employs Reactive Force Field (ReaxFF) molecular dynamics (MD)…

Chemical Physics · Physics 2025-07-10 Amirali Shateri , Zhiyin Yang , Jianfei Xie , Nasser Sherkat

Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…

This work explores the role of oxygen in industrial methane oxidation. Oxygen, a well-known oxidizing agent, drives CH$_4$ conversion to CO$_2$ and H$_2$O. We report how oxygen influences oxidation on single Pd and PdO clusters supported on…

Materials Science · Physics 2025-09-23 Shalini Tomar , Hojin Jeong , Joon Hwan Choi , Seung-Cheol Lee , Satadeep Bhattacharjee

Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The…

Solar and Stellar Astrophysics · Physics 2018-05-02 N. F. W. Ligterink , C. Walsh , R. G. Bhuin , S. Vissapragada , J. Terwisscha van Scheltinga , H. Linnartz

The synthesis of solar methanol through direct CO2 hydrogenation using solar energy is of great importance in advancing a sustainable energy economy. In this study, non-precious NiZn intermetallic/ZnO catalyst is reported to catalyze the…

Materials Science · Physics 2024-04-23 Linjia Han , Fanqi Meng , Xianhua Bai , Qixuan Wu , Yanhong Luo , Jiangjian Shi , Yaguang Li , Dongmei Li , Qingbo Meng

We have performed experimental investigations of methanol formation via the reactions of low energy $CH_{3}^{+}$ ions with an amorphous solid water (ASW) surface around 10 K. A newly developed experimental apparatus enabled irradiation of…

Astrophysics of Galaxies · Physics 2023-04-27 Y. Nakai , W. M. C. Sameera , K. Furuya , H. Hidaka , A. Ishibashi , N. Watanabe

Methane (CH4) formation from photocatalytic carbon dioxide (CO2) conversion in water is currently of interest because methane is a fuel, and it can also be transformed into other useful hydrocarbons. However, achieving high selectivity to…

Materials Science · Physics 2025-03-21 Jacqueline Hidalgo-Jiménez , Taner Akbay , Xavier Sauvage , Tatsumi Ishihara , Kaveh Edalati

Methanol (CH3OH) is thought to form on interstellar ice dust via successive hydrogenation reactions. The reaction between CH3 and OH radicals could also conceivably generate methanol at temperatures above approximately 20 K, at which…

Astrophysics of Galaxies · Physics 2026-01-12 Arisa Iguchi , Hiroshi Hidaka , Atsuki Ishibashi , Masashi Tsuge , Yasuhiro Oba , Naoki Watanabe

Methane autothermal reforming has been studied using comprehensive, detailed microkinetic mechanisms, and a hierarchically reduced rate expression has been derived without apriori assumptions. The microkinetic mechanism is adapted from…

Materials Science · Physics 2016-01-26 Marm Dixit , Renika Baruah , Dhrupad Parikh , Sudhanshu Sharma , Atul Bhargav

The Adiabatic Flame Temperature (AFT) in combustion represents the maximum attainable temperature at which the chemical energy in the reactant fuel is converted into sensible heat in combustion products without heat loss. AFT depends on the…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Osama A. Marzouk

Complete catalytic oxidation of methane is an effective strategy for greenhouse gas mitigation and clean energy conversion; yet, ensuring both high catalytic activity and stability with palladium-based catalysts remains a challenge. In the…

Kinetic Monte-Carlo simulation is applied to study the partial oxidation of methane over a nickel catalyst. Based on the Langmuir-Hinshelwood mechanism, the kinetic behavior of this reaction is analyzed and the results are compared with…

Materials Science · Physics 2016-06-13 Sirawit Pruksawan , Boonyarach Kitiyanan , Robert M. Ziff

Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…

Chemical Physics · Physics 2018-09-18 William Foster , Juan A. Aguilar , Halim Kusumaatmaja , Kislon Voïtchovsky
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