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Chemical Thermodynamics and Thermal Analysis
Article . 2024 . Peer-reviewed
License: CC BY NC
Data sources: Crossref
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https://doi.org/10.2139/ssrn.4...
Article . 2024 . Peer-reviewed
Data sources: Crossref
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Atmospheric Implication of Aminomethylphosphonic Acid Promoted Binary Nucleation of Water Molecules

Authors: Ayiseh Frederick Tandong; Olivier Holtomo; David Afungchui;

Atmospheric Implication of Aminomethylphosphonic Acid Promoted Binary Nucleation of Water Molecules

Abstract

Aminomethylphosphonic acid (AMPA) is the main metabolite of glyphosate and phosphonate, the major constituents of herbicides and insecticides used nowadays in modern agriculture and treatment of environmental refuge and sewage. Through these activities, AMPA is released into the atmosphere which can result in water molecule adsorption around AMPA. The DFT method through the APF-D/6–31++G(d,p) was used throughout the work to cluster one to ten water molecules around AMPA and to find their concentrations in atmosphere along with climate forcing. It comes to light that, the binding energies of the complexes AMPA(H2O)n = 1–10 increase upon addition of H2O. The binding energy (ΔE) per H2O is approximatively -55.7 kJ/mol for n = 1 – 5 and -52.7 kJ/mol for n = 6 – 10. Likewise, the Gibbs free energy per H2O averages within the same ranges at -19.0 and -13.5 kJ/mol, respectively. Thus, AMPA easily forms clusters with water molecules in an exothermic reaction. This happens with high cluster concentrations and high evaporation rate constant. The concentrations, [AMPA(H2O)n], show that AMPA forms more complexes with water at higher relative humidity (saturated air) than lower relative humidity (moderate or dry air). However, the significant drop in the concentrations at n > 5, shows that the stability of the complexes reduces with cluster size. The evaporation rates of a single water evaporation pathway of AMPA(H2O)n are large enough thereby showing that binary clusters AMPA – water easily evaporate in the atmosphere. The presence of clusters, AMPA(H2O)n, in the atmosphere can contribute greatly to the atmospheric puzzles of global warming and climate change. This is supported by the estimates of radiative forcing efficiencies of AMPA(H2O)n.

Keywords

Aerosols, APF-D, AMPA, Thermodynamics, Relative population fraction, Binding energy, QC310.15-319, Radiative forcing efficiency

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
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