Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2012

Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets

Résumé

The surface composition of charged Lennard-Jones clusters An+N, composed of N particles (55 ≤ N ≤ 1169) among which n are positively charged with charge q, thus having a net total charge Q = nq, is investigated by Monte Carlo with Parallel Tempering simulations. At finite temperature, the surface sites of these charged clusters are found to be preferentially occupied by charged particles carrying large charges, due to Coulombic repulsions, but the full occupancy of surface sites is rarely achieved for clusters below the stability limit defined in this work. Large clusters (N = 1169) follow the same trends, with a smaller propensity for positive particles to occupy the cluster surface at non-zero temperature. We show that these charged clusters rather behave as electrical spherical conductors for the smaller sizes (N ≤ 147) but as spheres uniformly charged in their volume for the larger sizes (N = 1169).

Dates et versions

hal-00733877 , version 1 (19-09-2012)

Identifiants

Citer

David Bonhommeau, Riccardo Spezia, Marie-Pierre Gaigeot. Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets. Journal of Chemical Physics, 2012, 136 (18), pp.184503. ⟨10.1063/1.4705754⟩. ⟨hal-00733877⟩
44 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More