Static structure factor for a fluid with interaction of hard spheres plus two Yukawa tails

Cruz-Vera, A.; Herrera, Jesús

doi:10.1016/j.physa.2008.06.024

Cited by 4 publications

(2 citation statements)

References 22 publications

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“…This is analogous to the decoupling approximation (Kotlarchyk & Chen, 1983) for polydisperse or anisotropic particles. The structure factor could for example be modeled computer programs as that of a hard-sphere liquid (Wertheim, 1963;Thiele, 1963) or a hard-sphere liquid augmented with a Yukawa tail (Herrera et al, 1999;Cruz-Vera & Herrera, 2008). Structure factor effects can also described using e.g.…”

Section: Generic Equationsmentioning

confidence: 99%

SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures

Jarrett,

Svaneborg

2024

J Appl Crystallogr

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Analysis of small-angle scattering (SAS) data requires intensive modeling to infer and characterize the structures present in a sample. This iterative improvement of models is a time-consuming process. Presented here is Scattering Equation Builder (SEB), a C++ library that derives exact analytic expressions for the form factors of complex composite structures. The user writes a small program that specifies how the sub-units should be linked to form a composite structure and calls SEB to obtain an expression for the form factor. SEB supports e.g. Gaussian polymer chains and loops, thin rods and circles, solid spheres, spherical shells and cylinders, and many different options for how these can be linked together. The formalism behind SEB is presented and simple case studies are given, such as block copolymers with different types of linkage, as well as more complex examples, such as a random walk model of 100 linked sub-units, dendrimers, polymers and rods attached to the surfaces of geometric objects, and finally the scattering from a linear chain of five stars, where each star is built up of four diblock copolymers. These examples illustrate how SEB can be used to develop complex models and hence reduce the cost of analyzing SAS data.

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Section: Generic Equationsmentioning

confidence: 99%

SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures

Jarrett,

Svaneborg

2024

J Appl Crystallogr

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show abstract

“…Some threedimensional systems or fluid structures in bulk phases could be solved analytically. Cruz-Vera et al reported the analytical solution of an integral equation and the closure of mean spherical approximation (MSA) [10]. However, to our knowledge, for the two-dimensional systems, there has been no work showing the analytical solutions of the integral equations.…”

Section: An Integral-equation Theory Based On Binary-mixture Approximmentioning

confidence: 99%

Sequential deposition of polydisperse particles with double layer interactions: An integral-equation theory

Danwanichakul

Charinpanitkul

2010

Physica A: Statistical Mechanics and its Applications

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Thermodynamic and structural properties of fluids with a hard-sphere plus multi-Yukawa interaction potential

Herrera

2018

Journal of Molecular Liquids

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Static structure factor for a fluid with interaction of hard spheres plus two Yukawa tails

Cited by 4 publications

References 22 publications

SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures

SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures

Sequential deposition of polydisperse particles with double layer interactions: An integral-equation theory

Thermodynamic and structural properties of fluids with a hard-sphere plus multi-Yukawa interaction potential

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