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The development of ammonia-methane (NH3-CH4) combustion as a hydrogen-carrier energy source faces major challenges such as significant NOx emissions, hindering its practical implementation. This paper examines how ethanol (C2H6O) and…

Chemical Physics · Physics 2025-07-23 Amirali Shateri , Zhiyin Yang , Jianfei Xie

We present 247-GHz molecular line observations of methanol (CH$_3$OH) toward sixteen massive star-forming regions, using the APEX telescope with an angular resolution of $25''$. The sample covers a range of evolutionary states, including…

Design and operation of advanced reactors such as fuel reformers require reliable micro-kinetic models that capture the dynamics of the reaction. The negative temperature coefficient phenomenon causes a reduction in mixture temperature for…

The ability to partially oxidize methane at low temperatures and pressures would have important environmental and economic applications. Although methane oxidation on gold nanoparticles has been observed experimentally, our density…

Materials Science · Physics 2014-08-28 Duncan J. Mowbray , Annapaola Migani , Guido Walther , David M. Cardamone , Angel Rubio

The partial oxidation of methane was investigated using a self-stirred reactor under a wide range of operating conditions. The recation mechanism was determined by comparing ecperimental results with the results of simulations made using…

Chemical Physics · Physics 2009-04-28 Matthieu Fleys , Yves Simon , Paul-Marie Marquaire , François Lapicque

One pot synthetic technique was used to synthesize mesoporous fullerene using highly ordered mesoporous template such as KIT6-150 and SBA-15-150. Highly ordered porous fullerene with cross linkage between the fullerene molecules was…

Materials Science · Physics 2015-03-12 Sujit K. Mondal

The conversion of natural gas (methane) to ethane and ethylene (OCM: oxidative coupling of methane) facilitates its transportation and provides a way to synthesize higher value chemicals. The search for high-performance catalysts to achieve…

Materials Science · Physics 2022-11-16 A. Mazheika , M. Geske , M. Muller , S. A. Schunk , F. Rosowski , R. Kraehnert

The kinetics of MgO$^+$ + CH$_4$ was studied experimentally using the variable ion source, temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300 $-$ 600 K and computationally by running and analyzing reactive…

We computationally investigate the catalytic potential of MoSe$_2$, WS$_2$, and WSe$_2$ nanoribbons and nanosheets for the partial hydrogenation of CO$_2$ to methanol by comparing their electronic, adsorption, and defect properties to…

NASA mandate is a human mission to Mars in the 2030s and sustained exploration of Mars requires in-situ resource utilization (ISRU). Exploiting the Martian water cycle (alongside perchlorate salts that depress the freezing point of water to…

Chemical Physics · Physics 2024-04-02 M. Shahid , B. Chambers , S. Sankarasubramanian

A one-dimensional and stationary reactor model is presented to describe the catalytic conversion of a gaseous hydrocarbon fuel with air and steam to synthesis gas by autothermal reforming (ATR) and catalytic partial oxidation (CPO). The…

Chemical Physics · Physics 2020-01-07 P. M. Biesheuvel , G. J. Kramer

Chemical looping methane partial oxidation provides an energy and cost effective route for methane utilization. However, there is considerable CO2 co-production in state-of-the-art chemical looping systems, rendering a decreased…

Chemical Physics · Physics 2020-01-08 Yan Liu , Lang Qin , Zhuo Cheng , Josh W. Goetze , Fanhe Kong , Jonathan A. Fan , Liang-shih Fan

Theoretical calculations based on density functional theory have made significant contributions to our understanding of metal oxides, their surfaces, and the binding of molecules at these surfaces. In this paper we investigate the binding…

Materials Science · Physics 2007-05-23 Oyvind Borck , Elsebeth Schroder

Atomic oxygen in its first excited singlet state, O(1 D), is an important species in the photochemistry of several planetary atmospheres and has been predicted to be a potentially important reactive species on interstellar ices. Here, we…

Chemical Physics · Physics 2022-07-25 Kevin K. M. Hickson , Jean-Christophe Loison

The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition metals: eight (111) surfaces of fcc metals (Ni, Cu, Pd, Ag,…

Materials Science · Physics 2022-03-09 Carmen Martínez-Alonso , José Manuel Guevara-Vela , Javier LLorca

We analyze methanol excitation in the absence of external radiation and consider LTE methods for probing interstellar gas. We show that rotation diagrams correctly estimate the gas kinetic temperature only if they are built from lines with…

Astrophysics of Galaxies · Physics 2017-10-23 S. V. Kalenskii , S. Kurtz

Pd-based electro-catalysts are a key component to improve the methanol oxidation reaction (MOR) kinetics from alcohol fuel cells. However, the performance of such catalysts is degraded over time. To understand the microstructural/atomic…

Materials Science · Physics 2023-02-09 Leonardo Shoji Aota , Se-Ho Kim , Chanwon Jung , Siyuan Zhang , Baptiste Gault

Dry reforming of methane (DRM) over platinum catalysts offers a promising route for CO2 utilization and syngas (H2/CO) production, a versatile feedstock for synthetic fuels. This study employs automated chemical kinetic model generation to…

Computational Physics · Physics 2025-08-05 Esther Ritov , Alon Grinberg Dana

Photocatalytic oxidation (PCO) is a promising strategy for indoor air purification and outdoor pollutant abatement, potentially offering treatment for climate- and health-relevant pollutants such as methane (CH$_4$), nitrogen oxides…

Bound electron contribution to the Doppler-shift of gamma-ray spectra in the positron-electron annihilation process of molecular methane has been studied in gas phase. Two accurate ab initio quantum mechanical schemes, i.e. the delocalized…

Atomic Physics · Physics 2013-04-01 Xiaoguang Ma , Feng Wang