Search Results - "Parsafar, G"

Toward an Equation of State for Water inside Carbon Nanotubes by Sadeghi, M, Parsafar, G. A

“…Water inside carbon nanotubes as an example of nanoconfined water has gained noticeable attention, in both theoretical and applied aspects. Molecular…”
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Structural stability of nano-sized crystals of HMX: A molecular dynamics simulation study by Akkbarzade, H., Parsafar, G.A., Bayat, Y.

“…► Molecular dynamics simulations of nanoparticles with 10, 20, 30, 40, 50, 60, 70, 80, 90, and 100 molecules of HMX are carried out at 300K. ► The…”
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An Accurate Equation of State for Fluids and Solids by Parsafar, G. A, Spohr, H. V, Patey, G. N

“…A simple functional form for a general equation of state based on an effective near-neighbor pair interaction of an extended Lennard-Jones (12,6,3) type is…”
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Linear Yukawa Isotherm Regularity for dense fluids derived based on the perturbation theory by Sohrabi Mahboub, M., Farrokhpour, H., Parsafar, G.A.

“…In the present work, the thermodynamic of dense fluids, both compressed liquids and dense supercritical fluids, has been modeled, solely, based on the…”
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Denaturation of Drew-Dickerson DNA in a high salt concentration medium: Molecular dynamics simulations by Izanloo, C., Parsafar, G. A., Abroshan, H., Akbarzadeh, H.

“…We have performed molecular dynamics simulation on B‐DNA duplex (CGCGAATTGCGC) at different temperatures. The DNA was immerged in a salt‐water medium with 1 M…”
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An analytical direct correlation function for hard core double Yukawa potential by Khanpour, Mehrdad, Parsafar, G.A., Hashim, Rauzah

“…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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Theoretical Investigation of the Hydrogen Abstraction Reaction of the OH Radical with CH2FCH2F (HFC-152):  A Dual-Level Direct Dynamics Study by Taghikhani, Mahdi, Parsafar, G. A

“…The hydrogen abstraction reaction of the OH radical with CH2FCH2F (HFC-152) is studied theoretically over the 150−3000 K temperature range. In this study, the…”
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Theoretical Investigation of the Hydrogen Abstraction Reaction of the OH Radical with CH3CHF2 (HFC152-a):  A Dual Level Direct Density Functional Theory Dynamics Study by Taghikhani, Mahdi, Parsafar, G. A, Sabzyan, Hassan

“…The hydrogen abstraction reaction of the OH radical with CH3CHF2 (HFC152-a) has been studied theoretically over a wide temperature range, 200−3000 K. Two…”
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New equations of state for hard disk fluid by asymptotic expansion method by Khanpour, Mehrdad, Parsafar, G.A.

“…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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Extension of linear isotherm regularity to long chain primary, secondary and tertiary alcohols, ketones and 1-carboxylic acids by group contribution method by Parsafar, G.A., Kalantar, Z.

“…In this work, the group contribution approach has been used in combination with the linear isotherm regularity (LIR) equation of state to estimate p v T…”
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Analytic solution to integral equations of liquid state theories for potentials with a hard core at low densities by KHANPOUR, Mehrdad, PARSAFAR, G. A, NAJAFI, B

“…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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Deriving Analytical Expressions for the Ideal Curves and Using the Curves to Obtain the Temperature Dependence of Equation-of-State Parameters by Parsafar, G. A., Izanloo, C.

“…Different equations of state (EOSs) have been used to obtain analytical expressions for the ideal curves, namely, the Joule-Thomson inversion curve (JTIC),…”
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Calculation of the transport properties of dense fluids using modified Enskog theory and an appropriate equation of state by Parsafar, G.A., Kalantar, Z.

“…In this work, a new method based on the modified Enskog theory (MET) is presented for calculation of transport properties at high densities ( ρ > ρ c). The…”
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Prediction of the Temperature and Density Dependencies of the Parameters of the Average Effective Pair Potential Using Only the LIR Equation of State by Parsafar, G, Kermanpour, F, Najafi, B

“…In this work we have studied the density and temperature dependencies of the parameters of the average effective pair potential using linear isotherm…”
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Calculation of thermodynamic properties of simple fluids using a new derived pair correlation function by Khanpour, Mehrdad, Parsafar, G.A., Najafi, B.

“…Based on a new derived radial distribution function (RDF) for potentials with a hard-core we have presented in this paper a method to apply the derived RDF for…”
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New correlation functions for viscosity calculation of gases over wide temperature and pressure ranges by NAJAFI, B, GHAYEB, Y, PARSAFAR, G. A

“…The viscosity of 14 supercritical gases over a wide temperature-pressure range is calculated with a new correlation scheme. Highly accurate realistic…”
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Calculation of the Critical Temperature for 2- and 3-Dimensional Ising Models and for 2-Dimensional Potts Models Using the Transfer Matrix Method by Ghaemi, M, Parsafar, G. A, Ashrafizaadeh, M

“…A new graphical method is developed to calculate the critical temperature of 2- and 3-dimensional Ising models as well as that of the 2-dimensional Potts…”
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Cluster approach to corrosion inhibition problems: interaction studies by Arshadi, M.R, Lashgari, M, Parsafar, Gh.A

“…The interaction energies of 3,5 di-methyl pyridine (A) and 2,4 di-methyl pyridine (B) on the (1 0 0) surface of body-centered cubic (bcc) iron were determined…”
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A New Exact Method for Solving the Two-Dimensional Ising Model by Ranjbar, Sh, Parsafar, G. A

“…We have used the two-dimensional Ising model with a limited number of rows, but with the coordination number of four for each site, to set up the transfer…”
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Prediction of the temperature and density dependences of the parameters of the average effective binary mixture pair potential using only the LIR equation of state by PARSAFAR, G. A, KERMANPOUR, F

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