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Interfacial free energy of a hard-sphere fluid in contact with curved hard surfaces
dc.contributor.author | Laird, Brian Bostian | |
dc.contributor.author | Hunter, Allie | |
dc.contributor.author | Davidchack, Ruslan L. | |
dc.date.accessioned | 2014-12-16T20:28:06Z | |
dc.date.available | 2014-12-16T20:28:06Z | |
dc.date.issued | 2012-12-20 | |
dc.identifier.citation | Laird, Brian Bostian; Hunter, Allie; Davidchack, Ruslan L. (2012). "Interfacial free energy of a hard-sphere fluid in contact with curved hard surfaces." Physical Review E, 86(6):060602(R). http://dx.doi.org/10.1103/PhysRevE.86.060602 | |
dc.identifier.issn | 1539-3755 | |
dc.identifier.uri | http://hdl.handle.net/1808/16127 | |
dc.description | This is the publisher's version, also available electronically from http://journals.aps.org/pre/abstract/10.1103/PhysRevE.86.060602. | |
dc.description.abstract | Using molecular-dynamics simulation, we have calculated the interfacial free energy γ between a hard-sphere fluid and hard spherical and cylindrical colloidal particles, as functions of the particle radius R and the fluid packing fraction η=ρσ3/6, where ρ and σ are the number density and hard-sphere diameter, respectively. These results verify that Hadwiger's theorem from integral geometry, which predicts that γ for a fluid at a surface, with certain restrictions, should be a linear combination of the average mean and Gaussian surface curvatures, is valid within the precision of the calculation for spherical and cylindrical surfaces up to η≈0.42. In addition, earlier results for γ for this system [Bryk et al., Phys. Rev. E 68, 031602 (2003)] using a geometrically based classical density functional theory are in excellent agreement with the current simulation results for packing fractions in the range where Hadwiger's theorem is valid. However, above η≈0.42, γ(R) shows significant deviations from the Hadwiger form indicating limitations to its use for high-density hard-sphere fluids. Using the results of this study together with Hadwiger's theorem allows one, in principle, to determine γ for any sufficiently smooth surface immersed in a hard-sphere fluid. | |
dc.publisher | American Physical Society | |
dc.title | Interfacial free energy of a hard-sphere fluid in contact with curved hard surfaces | |
dc.type | Article | |
kusw.kuauthor | Laird, Brian Bostian | |
kusw.kuauthor | Hunter, Allie | |
kusw.kuauthor | Davidchack, Ruslan L. | |
kusw.kudepartment | Chemistry | |
kusw.oastatus | fullparticipation | |
dc.identifier.doi | 10.1103/PhysRevE.86.060602 | |
dc.identifier.orcid | https://orcid.org/0000-0001-9418-5322 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item meets KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess |