Search Results - "Khanpour, Mehrdad"
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Transport properties of mixtures composed of acetone, water, and supercritical carbon dioxide by molecular dynamics simulation
Published in The Journal of supercritical fluids (01-12-2017)“…Self-diffusion coefficients of the mixtures of acetone, water, and carbon dioxide. [Display omitted] •The self-diffusion coefficient of supercritical carbon…”
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2
A unified derivation of Percus-Yevick and hyper-netted chain integral equations in liquid state theory
Published in Molecular physics (04-03-2022)“…A general one-parameter integral equation for liquids is derived that incorporates intrinsically both the famous Percus-Yevick and hyper-netted chain equations…”
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Analytical accurate expressions for radial distribution function and equation of state of hard sphere fluid based on the Percus-Yevick exact solution and a new unifying closure
Published in Physics and chemistry of liquids (04-05-2023)“…New accurate analytic expressions for the radial distribution function and equation of state of hard sphere fluid are obtained by use of its analytic solution…”
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Variants of the optimised random phase approximation: from one direct correlation function to many different radial distribution functions
Published in Molecular physics (17-06-2020)“…It is shown that there are an infinite number of radial distribution functions (RDFs), corresponding to only one direct correlation function (DCF) of the…”
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Augmentation of the Optimised random phase approximation by use of mayer function as a new perturbation theory of simple fluids
Published in Physics and chemistry of liquids (04-03-2021)“…The Optimised Random Phase Approximation in the thermodynamic perturbation theory of liquids is augmented by use of Mayer function. The direct correlation…”
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A generalization of random phase approximation as a new theory in the thermodynamic perturbation theory of simple fluids
Published in Fluid phase equilibria (01-01-2015)“…A generalization of the optimized random phase approximation in the thermodynamic perturbation theory of liquids is proposed. By introducing a new method, we…”
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A new analytical approximation for the second term in the thermodynamic perturbation theory of simple hard-core fluids
Published in Journal of molecular liquids (01-03-2014)“…An analytical expression for the second term in the thermodynamic perturbation theory of liquids is proposed. The expression is derived by invoking the mean…”
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Calculation of Kirkwood–Buff integrals for one-component fluids using the Barker–Henderson perturbation theory
Published in Chemical physics letters (10-03-2011)“…[Display omitted] ► We have devised the second order Barker-Henderson perturbation theory in the macroscopic approximation to find out an explicit formula for…”
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A simple derivation of random phase approximation expression in perturbation theory of fluids and its nonlinear generalization
Published in Journal of molecular liquids (15-11-2010)“…A new simple method without reference to graph theoretical concepts is devised to derive the random phase approximation expression and its nonlinear…”
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Analytic solution to integral equations of liquid state theories for potentials with a hard core at low densities
Published in Journal of the Physical Society of Japan (01-05-2004)“…We present in this paper a general analytical solution to the integral equations of liquid state theories (Born-Green-Yvon, hyper-netted-chain, and…”
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Perturbation theory based direct correlation function for fluids with hard core potentials
Published in Molecular physics (20-06-2010)“…Using second-order Barker-Henderson perturbation theory we are able to derive an explicit expression for the direct correlation function of fluids with hard…”
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Pair correlation function from the Barker-Henderson perturbation theory of fluids: the structure of square-well and square-shoulder potentials
Published in Physics and chemistry of liquids (01-03-2013)“…The Barker-Henderson perturbation theory is employed to modify the mean spherical approximation direct correlation function. It then leads to an improved…”
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13
Partial summation of various subsets of low-temperature terms to all orders in the direct correlation function based thermodynamic perturbation theory of simple liquids
Published in Physics and chemistry of liquids (02-11-2017)“…Various subsets of a new thermodynamic perturbation expansion for simple liquids [PHYSICAL REVIEW E 83, 021203 (2011)] is summed up by a new method to all…”
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14
Second virial coefficients of Exp-6 chains: A Monte Carlo simulation
Published in Chemical physics (13-03-2012)“…[Display omitted] ► We calculate the second virial coefficients of Exp-6 chains using the Monte Carlo. ► The segment–segment interaction energy is modeled…”
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15
Perturbation theory of liquids for short-ranged hard-core potentials: structure and thermodynamics of short-ranged square-well fluids
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01-02-2011)“…A new method is devised to derive a thermodynamic perturbation theory that is suitable for short-ranged potentials. We have calculated structure and…”
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16
A simple method of generating equations of state for hard sphere fluid
Published in Chemical physics (30-03-2007)“…We present in this paper a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. Using the first several virial…”
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17
On statistical mechanics of small systems: accurate analytical equation of state for confined fluids
Published in Physics and chemistry of liquids (04-07-2015)“…Some relations are derived using statistical mechanics to describe the effects of surroundings on the properties of systems for sizes below the thermodynamic…”
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18
Towards a New Perturbation Theory of Molecular Liquids
Published 17-11-2017“…First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions…”
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19
An analytical direct correlation function for hard core double Yukawa potential
Published in Journal of non-crystalline solids (15-09-2010)“…Using a general expression for the second term in the density expansion of the hard core potentials, we obtained an analytical expression for the direct…”
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20
New equations of state for hard disk fluid by asymptotic expansion method
Published in Fluid phase equilibria (15-12-2007)“…Using the newly introduced asymptotic expansion method to obtain equations of state for hard sphere fluid, new simple equations of state for hard disks based…”
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