Literature DB >> 21842052

Water adsorption around oxalic acid aggregates: a molecular dynamics simulation of water nucleation on organic aerosols.

Maria Darvas1, Sylvain Picaud, Pál Jedlovszky.   

Abstract

The phase behaviour of binary oxalic acid-water mixtures has been investigated by means of computer simulation techniques. Such mixtures play an important role in atmospheric processes, since the hydrogen bonding ability of oxalic acid molecules allows them to form aerosol particles. Water can in turn be readily adsorbed on the surface of such aerosol particles, which results in the formation of small ice grains. These grains are thus considered to be acting as cloud condensation nuclei, giving rise to the formation of ice clouds.

Entities:  

Year:  2011        PMID: 21842052     DOI: 10.1039/c1cp21901d

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  2 in total

1.  Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges.

Authors:  Ondřej Kroutil; Milan Předota; Martin Kabeláč
Journal:  J Mol Model       Date:  2017-10-28       Impact factor: 1.810

2.  Structure and dynamics of solvated hydrogenoxalate and oxalate anions: a theoretical study.

Authors:  Ondřej Kroutil; Babak Minofar; Martin Kabeláč
Journal:  J Mol Model       Date:  2016-08-18       Impact factor: 1.810

  2 in total

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