Abstract
We construct a closure theory for the bridge functional based on the third-order Ornstein–Zernike (OZ3) equation. The new closure is tested on the adsorption of the hard-core Yukawa fluid on a planar hard wall and its results are compared with Monte Carlo computer simulation. We show that in the particularly challenging cases of depletive adsorption, the density profiles near the wall obtained from the OZ3 theory improve considerably over conventional liquid-state theories, such as the hypernetted-chain and the Percus–Yevick equations. Some technical details of the implementation of the procedure of re-normalisation of the non-uniform indirect correlation function are also provided.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
