Reaction Mechanisms and Chemical Kinetics in Atmospheric Chemistry
A special issue of Atmosphere (ISSN 2073-4433). This special issue belongs to the section "Air Quality".
Deadline for manuscript submissions: 25 October 2024 | Viewed by 1089
Special Issue Editor
Interests: computational chemistry; quantum chemistry calculation; DFT; PES; master equation; 2DME; SCTST; RRKM; TST; dynamics for fundamental gas-phase reactions in atmosphere, space, and combustion
Special Issue Information
Dear Colleagues,
Many human activities (including burning fossil fuels, agricultural production, industrial manufacture, transport, etc.) have led to the release of a large number of chemical compounds into the atmosphere. These chemicals are polluting the living environments as well as causing global warming and climate change because they have altered the natural processes in the Earth’s atmosphere. To better understand the impacts of human activities on the environment, it is necessary to have knowledge of the sources and sinks of these chemical compounds.
Chemistry in the atmosphere is rather complicated as hundreds or even thousands of coupled chemical reactions are constantly occurring in series and/or in parallel. One must carry out an atmospheric modeling simulation to resolve depletions, demonstrate the formations of key chemicals, and determine some key reactions that control the chemical process. To conduct such a modeling simulation, one must lay out the mechanisms in detail and the rate coefficients for elementary reactions. Traditionally, experimental techniques are usually used to obtain such (benchmark) information; however, there are certain limitations of these techniques including limited data availability and high costs. Therefore, high-level theoretical methods have emerged as an alternative choice. Theoretical results can be used to support, elucidate, and complement the experiments, as well as extrapolate results to conditions where there is a lack of experimental data.
In this Special Issue titled ‘Reaction Mechanisms and Chemical Kinetics in Atmospheric Chemistry’, we invite submissions in the following areas (this list is not exhaustive):
- Experimental studies;
- Theoretical (gas-phase kinetics and/or dynamics) calculations;
- Field measurements and satellites for atmospheric measurements;
- Atmospheric modeling;
- Interface reactions.
Dr. Thanh Lam Nguyen
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Atmosphere is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- mechanisms
- kinetics
- master-equation
- rate constants
- DFT
- coupled-cluster
