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@ARTICLE{Heinen:14115,
      author       = {Heinen, M. and Holmqvist, P. and Banchio, A.J. and Nägele,
                      G.},
      title        = {{P}air structure of the hard-sphere {Y}ukawa fluid: {A}n
                      improved analytic method versus simulations,
                      {R}ogers-{Y}oung scheme, and experiment},
      journal      = {The journal of chemical physics},
      volume       = {134},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-14115},
      pages        = {044532},
      year         = {2011},
      note         = {We thank S. Rogers, J. Gapinski and A. Patkowski for
                      helpful discussions. M. H. acknowledges support by the
                      International Helmholtz Research School of Biophysics and
                      Soft Matter (IHRS BioSoft). A. J. B. acknowledges financial
                      support from SeCyT-UNC and CONICET. This work was under
                      appropriation of funds from the Deutsche
                      Forschungsgemeinschaft (SFB-TR6, project B2).},
      abstract     = {We present a comprehensive study of the equilibrium pair
                      structure in fluids of nonoverlapping spheres interacting by
                      a repulsive Yukawa-like pair potential, with special focus
                      on suspensions of charged colloidal particles. The accuracy
                      of several integral equation schemes for the static
                      structure factor, S(q), and radial distribution function,
                      g(r), is investigated in comparison to computer simulation
                      results and static light scattering data on
                      charge-stabilized silica spheres. In particular, we show
                      that an improved version of the so-called
                      penetrating-background corrected rescaled mean spherical
                      approximation (PB-RMSA) by Snook and Hayter [Langmuir 8,
                      2880 (1992)], referred to as the modified PB-RMSA
                      (MPB-RMSA), gives pair structure functions which are in
                      general in very good agreement with Monte Carlo simulations
                      and results from the accurate but nonanalytical and
                      therefore computationally more expensive Rogers-Young
                      integral equation scheme. The MPB-RMSA preserves the
                      analytic simplicity of the standard rescaled mean spherical
                      (RMSA) solution. The combination of high accuracy and fast
                      evaluation makes the MPB-RMSA ideally suited for extensive
                      parameter scans and experimental data evaluation, and for
                      providing the static input to dynamic theories. We discuss
                      the results of extensive parameter scans probing the
                      concentration scaling of the pair structure of strongly
                      correlated Yukawa particles, and we determine the
                      liquid-solid coexistence line using the Hansen-Verlet
                      freezing rule.},
      keywords     = {J (WoSType)},
      cin          = {ICS-3},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-3-20110106},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung},
      pid          = {G:(DE-Juel1)FUEK505},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:21280773},
      UT           = {WOS:000286897600098},
      doi          = {10.1063/1.3524309},
      url          = {https://juser.fz-juelich.de/record/14115},
}