English

The Graph automorphism group of the dissociation microequilibrium of polyprotic acids

Chemical Physics 2026-03-03 v3

Abstract

The dissociation micro-states (DMS) of an NN-protic acid are described using set theory notation. This facilitates the mathematical description of the dissociation micro-equilibrium (DME). In particular, the DME constants are easily obtained in terms of the dissociation equilibrium constants and the molar fractions of the DMSs. Representing of the DMEs in terms of graph theory allows to identify permutations between DMSs that preserve the vertex-edge connectivity of the graph. These permutations, along with their composition, allow us to identify the direct product of the cyclic group C2C_2, and the symmetric group SNS_N, C2×SNC_2\times S_N, as the graph automorphism group of the micro-dissociation of NN-protic acids.

Keywords

Cite

@article{arxiv.2405.09692,
  title  = {The Graph automorphism group of the dissociation microequilibrium of polyprotic acids},
  author = {Nicolás Salas and Justin López and Carlos A. Arango},
  journal= {arXiv preprint arXiv:2405.09692},
  year   = {2026}
}

Comments

36 pages, 9 figures