Calculation of the chemical potential of chain molecules using the staged particle deletion scheme Academic Article

abstract

• The staged particle deletion method for calculation of excess chemical potential was generalized rigorously for the case of chain molecules. Simulation results presented for tangent dimers and for ethane reveal that SPD is considerably more efficient than Widom insertion.

authors

• Economou, Ioannis

published proceedings

• JOURNAL OF CHEMICAL PHYSICS

altmetric score

• 5.08

author list (cited authors)

• Boulougouris, G. C., Economou, I. G., & Theodorou, D. N.

citation count

• 40

complete list of authors

• Boulougouris, GC||Economou, IG||Theodorou, DN

publication date

• November 2001

publisher

• AIP Publishing  Publisher

published in

• Journal of Chemical Physics  Journal

Digital Object Identifier (DOI)

• 10.1063/1.1405849

start page

• 8231

end page

• 8237

volume

• 115

issue

• 17

URL

• http://dx.doi.org/10.1063/1.1405849