Logo del repository
  1. Home
 
Opzioni

Wertheim and Bjerrum-Tani-Henderson theories for associating fluids: A critical assessment

Fantoni, Riccardo
•
PASTORE, GIORGIO
2014
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
Two theories for associating fluids recently used to study clustering in models for self-assembling patchy particles, Wertheim's and Bjerrum-Tani-Henderson theories, are carefully compared. We show that, for a fluid allowing only for dimerization, Wertheim theory is equivalent to the Bjerrum-Tani-Henderson theory neglecting intercluster correlations. Nonetheless, while the former theory is able to account for percolation and condensation, the latter is not. For the Bjerrum-Tani-Henderson theory we also rigorously prove the uniqueness of the solution for the cluster's concentrations and the reduction of the system of equations to a single one for a single unknown. We carry out Monte Carlo simulations of two simple models of dimerizing fluids and compare quantitatively the predictions of the two theories with the simulation data.
DOI
10.1063/1.4892878
WOS
WOS:000340714600011
Archivio
http://hdl.handle.net/11368/2835995
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84906544798
Diritti
metadata only access
Soggetti
  • Physics and Astronomy...

  • Physical and Theoreti...

Web of Science© citazioni
6
Data di acquisizione
Mar 28, 2024
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
Vedi dettagli
google-scholar
Get Involved!
  • Source Code
  • Documentation
  • Slack Channel
Make it your own

DSpace-CRIS can be extensively configured to meet your needs. Decide which information need to be collected and available with fine-grained security. Start updating the theme to match your nstitution's web identity.

Need professional help?

The original creators of DSpace-CRIS at 4Science can take your project to the next level, get in touch!

Realizzato con Software DSpace-CRIS - Estensione mantenuta e ottimizzata da 4Science

  • Impostazioni dei cookie
  • Informativa sulla privacy
  • Accordo con l'utente finale
  • Invia il tuo Feedback