New accurate binary hard sphere mixture radial distribution functions at contact and a new equation of state

Viduna, David; Smith, William R.

doi:10.1080/00268970210145311

Cited by 23 publications

(18 citation statements)

References 9 publications

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“…On a different path, but also having to do with the colloidal limit, Viduna and Smith [25] have proposed a method to obtain contact values of the RDF of HS mixtures from a given EOS. However, none of these proposals may be easily generalized so as to be valid for any dimensionality and any number of components.…”

Section: Definitionsmentioning

confidence: 99%

Alternative Approaches to the Equilibrium Properties of Hard-Sphere Liquids

Haro

Yuste

Santos

2008

Theory and Simulation of Hard-Sphere Fluids and Related Systems

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An overview of some analytical approaches to the computation of the structural and thermodynamic properties of single component and multicomponent hard-sphere fluids is provided. For the structural properties, they yield a thermodynamically consistent formulation, thus improving and extending the known analytical results of the Percus-Yevick theory. Approximate expressions for the contact values of the radial distribution functions and the corresponding analytical equations of state are also discussed. Extensions of this methodology to related systems, such as sticky hard spheres and squarewell fluids, as well as its use in connection with the perturbation theory of fluids are briefly addressed.

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Section: Definitionsmentioning

confidence: 99%

Alternative Approaches to the Equilibrium Properties of Hard-Sphere Liquids

Haro

Yuste

Santos

2008

Theory and Simulation of Hard-Sphere Fluids and Related Systems

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“…For theoretical description we have used three different versions of the TPT for polymers [2,16]. In the first version the reference sys-ICMP-08-02E 11 tem, represented by polydisperse hard-sphere mixture, is described using BMCSL EOS [10,11], in the second version we have used VS EOS [12] and in the third version NGCS EOS [13]. In the case of bidisperse asymmetric hard-sphere mixture the latter two EOS show the existence of the metastable liquid-liquid phase transition.…”

Section: Discussionmentioning

confidence: 99%

“…VS expression, obtained by integrating corresponding pressure expression [12] A 4) and NGCS expression, which follows from the EOS, proposed by HansenGoos and Roth [13] A N GCS hs V kT = 6 π…”

Section: Thermodynamical Propertiesmentioning

confidence: 99%

“…In our calculations we have used different theories to describe the properties of the reference system, which include Boublik-Mansoori-CarnahanStarling-Leland [10,11] (BMCSL), Viduna-Smith [12] (VS) and new generalized Carnahan-Starling [13] (NGCS) hard-sphere equations of state (EOS). To qualify the accuracy of the TPT predictions we compare our results for bidisperse asymmetric hard-sphere mixture and for bidisperse polymer-colloidal mixture with corresponding computer simulation results [14,15].…”

Section: Introductionmentioning

confidence: 99%

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Phase coexistence in polydisperse athermal polymer-colloidal mixture

Hlushak

Kalyuzhnyi

Cummings

2008

The Journal of Chemical Physics

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Препринти Iнституту фiзики конденсованих систем НАН України розповсюджуються серед наукових та iнформацiйних установ. Вони також доступнi по електроннiй комп'ютернiй мережi на WWW-сер-верi iнституту за адресою http://www.icmp.lviv.ua/ Анотацiя. Розроблена ранiше теоретична схема використана для обрахунку повної фазової дiаграми полiдисперсної атермальної ко-лоїдно-полiмерної сумiшi з полiдисперснiстю полiмерної та колоїдної пiдсистем. Отриманi теоретичнi результати в граничному випадку бi-дiспресної колоїдно-полiмерної сумiшi порiвнюються з результатами комп'ютерної симуляцiї. Представлено кривi хмари, тiнi, критичнi бiнодалi та функцiї розподiлу спiвiснуючих фаз, а також проана-лiзовано вплив на них ефектiв полiдисперсностi. Виявлено, що по-лiдисперснiсть розширює область фазової нестабiльностi, зсуваючи критичну точку в сторону менших значень тиску та густини. При ве-ликих тисках полiдисперснiсть призводить до появи сильного фрак-цiонування при якому великi колоїднi частинки вiдокремлюються у розрiджену фазу тiнi а довгi полiмери в густу фазу тiнi.Phase coexistence in polydisperse athermal polymer-colloidal mixture S. P. Hlushak, Yu. V. Kalyuzhnyi, and P. T. Cummings Abstract. A theoretical scheme developed earlier is used to calculate the full phase diagram of polydisperse athermal polymer-colloidal mixture with polydispersity in both colloidal and polymeric components. In the limiting case of bidisperse polymer-colloidal mixture theoretical results are compared against computer simulation results. We present the cloud and shadow curves, critical binodals and distribution functions of the coexisting phases and discuss the effects of polydispersity on their behavior. According to our analysis polydispersity extends the region of the phase instability, shifting the critical point to the lower values of the pressure and density. For the high values of the pressure polydispersity causes strong fractionation effects with the large size colloidal particles preferring the low-density shadow phase and long chain length polymeric particles preferring to be in the high-density shadow phase.

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“…[1], only the simplest EOSs for hard spheres mixtures available in the literature were used. There are some other EOSs that must be included in the comparison [18,[31][32][33][34][35][36] for future proposals of EOSs for hard spheres mixtures.…”

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confidence: 99%