scholarly journals Identification of the Criegee intermediate reaction network in ethylene ozonolysis: impact on energy conversion strategies and atmospheric chemistry

2019 ◽  
Vol 21 (14) ◽  
pp. 7341-7357 ◽  
Author(s):  
Aric C. Rousso ◽  
Nils Hansen ◽  
Ahren W. Jasper ◽  
Yiguang Ju
Keyword(s):  
Energy Conversion ◽  
Atmospheric Chemistry ◽  
Reaction Network ◽  
Intermediate Reaction

The reaction network of the simplest Criegee intermediate (CI) CH2OO has been studied experimentally during the ozonolysis of ethylene.

Identification of the Acetaldehyde Oxide Criegee Intermediate Reaction Network in the Ozone-Assisted Low-Temperature Oxidation of trans-2-Butene

2021 ◽  
Author(s):  
Alan R Conrad ◽  
Nils Hansen ◽  
Ahren Jasper ◽  
Natasha Kiran Thomason ◽  
Laura Hidalgo-Rodriguez ◽  
...  
Keyword(s):  
Low Temperature ◽  
Atmospheric Chemistry ◽  
Reaction Network ◽  
Low Temperature Oxidation ◽  
Temperature Oxidation ◽  
Intermediate Reaction ◽  
Criegee Intermediates ◽  
Molecular Reactions

Uni- and bi-molecular reactions involving Criegee intermediates (CIs) have been the focus of many studies due to the role these molecules play in atmospheric chemistry. The reactivity of CIs is...

scholarly journals Reconstruction of water ice: the neglected process OH + OH → H2O + O

2020 ◽  
Vol 638 ◽  
pp. A125 ◽  
Author(s):  
P. Redondo ◽  
F. Pauzat ◽  
Y. Ellinger ◽  
A. Markovits
Keyword(s):  
Atmospheric Chemistry ◽  
Density Functional ◽  
Reaction Network ◽  
Oh Radicals ◽  
Infinite Dimensions ◽  
Water Ice ◽  
Small Water ◽  
Interstellar Grains ◽  
Solid Water ◽  
High Level

Context. Although H2O is the most important molecular material found in the solid state in the interstellar medium, the chemical routes leading to ice through surface reactions are still a matter of discussion. Three reaction pathways proposed in the past are at the heart of current research: hydrogenation of atomic oxygen, molecular oxygen, and ozone. The reaction network finally leads to a small number of processes giving H2O: H + OH, H2 + OH, and H + H2O2. To these processes, OH + OH should be added. It is known to be efficient in atmospheric chemistry and takes the irradiations of the interstellar grains into account that, directly or indirectly, create a number of OH radicals on and in the icy mantles. Aims. We study the role of the existing ice in its own reconstruction after it is destroyed by the constant irradiation of interstellar grains and focus on the OH + OH reaction in the triplet state. Methods. We used numerical simulations with a high level of coupled cluster ab initio calculations for small water aggregates and methods relevant to density functional theory for extended systems, including a periodic description in the case of solid water of infinite dimensions. Results. OH + OH → H2O + O reaction profiles are reported that take the involvement of an increasing number of H2O support molecules into account. It is found that the top of the barrier opposing the reaction gradually decreases with the number of supporting H2O and falls below the level of the reactants for H2O layers or solid water. Conclusions. In contrast to the gas phase, the reaction is barrierless on water ice. By adding a reconstructed H2O molecule and a free oxygen atom at the surface of the remaining ice, this reaction leaves open the possibility of the ice reconstruction.

Artificial cells containing sustainable energy conversion engines

2019 ◽  
Vol 3 (5) ◽  
pp. 573-578 ◽  
Author(s):  
Kwanwoo Shin
Keyword(s):  
Energy Conversion ◽  
Nicotinamide Adenine Dinucleotide ◽  
Sustainable Energy ◽  
Living Cells ◽  
Energy Transduction ◽  
Artificial Cells ◽  
Energy Conversion Process ◽  
Metabolic Reactions ◽  
Metabolic Activities ◽  
Reduced Nicotinamide Adenine Dinucleotide

Living cells naturally maintain a variety of metabolic reactions via energy conversion mechanisms that are coupled to proton transfer across cell membranes, thereby producing energy-rich compounds. Until now, researchers have been unable to maintain continuous biochemical reactions in artificially engineered cells, mainly due to the lack of mechanisms that generate energy-rich resources, such as adenosine triphosphate (ATP) and reduced nicotinamide adenine dinucleotide (NADH). If these metabolic activities in artificial cells are to be sustained, reliable energy transduction strategies must be realized. In this perspective, this article discusses the development of an artificially engineered cell containing a sustainable energy conversion process.

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