THEORITICAL AND COMPUTATIONAL
PHYSICAL CHEMISTRY Lab
Web Designer: S. H. Sajjadi
Publication: Journal Papers
1.
S. H. Sajjadi and G. Parsafar, Complexity of Density Dependencies of Thermal- and Internal- Pressure
Compared to that of Total Pressure, Industrial & Engineering Chemistry Research, 2013, Accepted
Manuscript. (link)
2.
M. SadeghiG. Parsafar, Density-Induced Molecular Arrangements of Water Inside Carbon Nanotubes,
Physical Chemistry Chemical Physics ,15, 7379, 2013.(link)
3.
F. R. Negreiros, F. Taherkhani, G. Parsafar, A. Caro, and A. Fortunelli, Kinetics of chemical ordering in
a Ag-Pt nanoalloy particle via first-principles simulations, Journal of Chemical Physics, 137, 194302,
2012. (link)
4.
H. Akkbarzade, G. Parsafar, Y. Bayat, Structural Stability of Nano-sized Crystals of HMX: A
Molecular Dynamics Simulation Study, Applied Surface Science, 258, 2226, 2012.(link)
5.
F. Safdari, G. Parsafar, Influence of Quantum Effect on Deviation from Linear Isotherm
Regularity, Scientia Iranica, 19, 555, 2012. (PDF)
6.
M. Sadeghi, G. Parsafar, Toward an Equation of State for Water inside Carbon Nanotubes,
Journal of Physical Chemistry B, 116 , 4943, 2012. (PDF)
7.
H. Akbarzadeh, H. Abroshan, F. Taherkhani, G. Parsafar, Calculation of Thermodynamic
Properties of Ni Nanoclusters via Selected Equations of State Based on Molecular Dynamics
Simulations, Solid State Communications, 151, 965, 2011 (PDF)
8.
F. Taherkhani, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, Investigation of
Magnetic Field Effect on Surface and Finite-Site Free energy in One-Dimensional Ising Model of
Nanosystems Phase Transitions, 84, 613, 2011. (PDF)
9.
F. Taherkhani, E. Daryaei, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, On the
Existence of an Analytic Solution to the 1-D Ising Model with Nearest and Next-nearest Neighbor
Interactions in the Presence of a Magnetic Field, Phase Transitions, 84, 77, 2011. (PDF)
10.
F. Taherkhani, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, Investigation of
Magnetic Field Effect on Surface and Finite-Site Free energy in One-Dimensional Ising Model of
Nanosystems Phase Transitions, iFirst, 1, 2011. (PDF)
11.
F. Taherkhani, E. Daryaei, G. Parsafar and A. Fortunelli, Investigation of Size Effects on the
Physical Properties of One-Dimensional Ising Models in Nanosystems, Molecular Physics, 109,
385, 2011. (PDF)
12.
H. Abroshan, H. Akbarzadeh, F. Taherkhani, G. Parsafar, Effect of Water:Methanol Content on
the Structure of Nafion in the Sandwich Model and Solvent Dynamics in Nano-Channels: A
Molecular Dynamics Study, Molecular Physics, 109, 709, 2011. (PDF)
13.
C. Izanloo, G. Parsafar, H. Abroshan, H. Akbarzadeh, Calculation of Melting Temperature and
Transition Curve for Dickerson DNA Dodecamer on the Basis of Configurational Entropy,
Hydrogen Bonding Energy, and Heat Capacity: A Molecular Dynamics Simulation Study, J.
Iranian Chemical Society, 8, 708, 2011. (PDF)
14.
C. Izanloo, G. Parsafar, H. Abroshan, H. Akbarzadeh, Denaturation of Drew:Dickerson DNA in a
High Salt Concentration Medium: Molecular Dynamics Simulations, Journal of Computational
Chemistry, 32, 3354, 2011. (PDF)
15.
H. Akbarzadeh, H. Abroshan, F. Taherkhani, C. Izanloo, G. Parsafar, Size Dependence and Effect
of Potential Parameters on Properties of Nano-Cavities in Liquid Xenon Using Molecular
Dynamics Simulation, Chemical Physics, 381, 44, 2011 (PDF)
16.
H. Alizadeh Osgouei, G. Parsafar, H. Akbarzadeh, Density and Temperature Dependencies of
Liquid Surface Tension, Iran. J. Chem. Chem. Eng., 30, 79, 2011. (PDF)
17.
H. Akbarzadeh, H. Abroshan, G. A. Parsafar, Surface Free Energy of Platinum Nanoparticles at
Zero Pressure: A Molecular Dynamic Study, Solid State Communications, 150, 254, 2010.
(PDF)
18.
G. A. Parsafar, H. V. Spohr, G. N. Patey, An Accurate Equation of State for Fluids and Solids, J.
Physical Chemistry B, 113, 11977, 2009. (PDF)
19.
H. Akbarzadeh, G. A. Parsafar, A Molecular-Dynamics Study of Thermal and Physical Properties
of Platinum Nanoclusters, Fluid Phase Equilibria, 280, 16, 2009. (PDF)
20.
A. Alizadeh, G. A. Parsafar, Mechanism of Water permeation through Modified Carbon
Nanotubes as a Model for Peptide Nanotube Channels, International Journal of
Nanotechnology, 6, 926, 2009. (PDF)
21.
A. M. Nassimi, G. A. Parsafar, Sensitivity of the Population of States to the Value of q and
Legistimate Range of q in Tsallis Statistics, J. Iran Chemical Society, 6,341, 2009. (PDF)
22.
M. Shokouhi, G. A. Parsafar, M. Dinpajooh, Deriving Linear Isotherms for Solids, Fluid Phase
Equilibria, 271, 94, 2008. (PDF)
23.
H. Akbarzadeh, M. Shokouhi, G. A. Parsafar, Using Molecular Dynamic Simulation Data of
Calcite in a Wide Pressure Range to Calculate Some of Its Thermodynamic Properties via Some
Universal Equations of State, Molecular Physics, 106, 2545, 2008. (PDF)
24.
H. Behzadi, D. van der Spole, M. D. Esrafili, G. A. Parsafar, N. Hadipour, Role of Spin State on
the Geometry and Nuclear Qudrupole Resonance Parameters in Hemin Complex, Biophysical
Chemistry, 134, 200, 2008. (PDF)
25.
H. Behzadi, M. D. Esrafili, D. van der Spole, N. Hadipour, G. A. Parsafar, A Theoretical Study of
Repeating Sequence in HRP II: A Combination of Molecular Dynamics Simulations and 17-O
Quadrupole Coupling Tensor, Biophysical Chemistry, 137, 76, 2008. (PDF)
26.
M. Shokouhi, G. A. Parsafar, the Effect of Steepness of Soft-Core Square-Well Potential Model
on Some Fluid Properties, Molecular Physics,106, 103, 2008. (PDF)
27.
M. Shokouhi, G. A. Parsafar, A New Equation of State Derived by the Statistical Mechanical
Perturbation Theory, Fluid Phase Equilibria, 264, 1, 2008. (PDF)
28.
M. Khanpour, G. A. Parsafar, New Equations of State for Hard Disk Fluid by Asympotic
Expansion Method, Fluid Phase Equilibria, 262, 157, 2007. (PDF)
29.
M. Taghikhani, G. A. Parsafar, Theoretical Investigation of the Hydrogen Abstraction Reaction of
the OH Radical with CH2FCH2F(HFC-52):A Dual-Level Direct Dynamics Study, J. Physical
Chemistry. A,111, 8095, 2007. (PDF)
30.
M. Nahaly, G. A. Parsafar, E. Ghoharshadi, Investigation of a New Mean Temperature-
Dependent Potential Energy Function for Methane and Its Use for the Prediction of Transport
Properties, Molecular Physics, 105,1453, 2007. (PDF)
31.
M. Khanpour, G. A. Parsafar, A Simple Method of Generating Equations of State for Hard Sphere
Fluid, Chemical Physics, 333, 208, 2007. (PDF)
32.
M. Khanpour, G. A. Parsafar, B. Najafi, Calculation of Thermodynamic Properties of Simple
Fluids Using a New Derived Pair Correlation Function, Fluid Phase Equilibria, 254,138, 2007.
(PDF)
33.
A. M. Nassimi, G. A. Parsafar, Making Thermodynamic Functions of Nanosystems Intensive, J.
Phys. Condens Matter,19,1, 2007. (PDF)
34.
G. A. Parsafar, Z. Kalantar, Calculation of Transport Properties of Dense Fluids Using Modified
Enskog Theory and an Appropriate Equation of State, Fluid Phase Equilibria, 235,108, 2007.
(PDF)
35.
G. A. Parsafar, and I. Ahadzadeh, Effect of Attraction Range of Pair Potential on the
Thermodynamic Properties of Fluids, Scientia Iranica, 14, 118, 2007. (PDF)
36.
G. A. Parsafar, A. Panahi, Extension of the Dense System Equation of State to Electrolyte
Solutions, Iran. J.Chemical and Chemical Engineering., 26, 17, 2007. (PDF)
37.
F. Taherkhani, G. A. Parsafar, M. R. Rahimitabar, Kinetic Investigation of Small Systems Using
Different Algorithms, The Journal of Iranian Chemical Society, 3, 327, 2006. (PDF)
38.
G. A. Parsafar, M. Shokouhi, Modification of a New Potential Model Used for Calculation of the
Second Virial Coefficient and Zero Density Transport Properties, Molecular Physics, 104, 3269,
2006. (PDF)
39.
G. A. Parsafar, M. Khanpour, A. A. Mohammadi, Calculation of Equilibrium and Transport
Properties Using Modified Hard-Core Potential Models, Chemical Physics, 326, 527, 2006.
(PDF)
40.
G.A. Parsafar, C. Izanloo, Driving Analytical Expressions for the Ideal Curves and Using the
Curves to Obtain the Temperature Dependence of Equation-of-State Parameters, Int. J.
Thermophys. , 27, 1564, 2006. (PDF)
41.
A. N. Shamkhali, G. A. Parsafar, Effect of Model Potential of Adsorptive Bond on the
Thermodynamic Properties of Adsorbed CO Molecules on Ni(111) Surface, J. Phys. Chem. B,
110, 20435, 2006. (PDF)
42.
M. Lashkari, M. R. Arshadi, G. A. Parsafar, V. A. Sastri, Cluster/Polarized Continuum Models
for Density Functional Theory Investigations of Benzimidazole Corrosion Inhibitors at
Metal/Solution Interface, Corrosion, 63, 199, 2006. (PDF)
43.
G. A. Parsafar, Z. Kalantar, Extension of Linear Isotherm Regularity to Long Range Primary,
Secondary and Tertiary Alcoholes, Ketones and 1-Carboxylic Acids by Group Contribution
Method, Fluid Phase Equilibria, 234, 11, 2005. (PDF)
44.
M. Taghikhani, G. A. Parsafar, H. Sabzyan, Theoretical Investigation of Hydrogen Abstraction
Reaction of the (OH) Radical with CH3CHF2 (HFC 152-a) : A Dual Level Density Functional
Theory Dynamics Study, J. Phys. Chem. A, 109, 8158, 2005. (PDF)
45.
M. Lashkari, M. R. Arshadi, G. A. Parsafar, A Simple and Fast Method for Comparison of
Corrosion Inhibitor Powers Between Pairs of Pyridine Derivatives, Corrosion, 61(8), 778, 2005.
(PDF)
46.
M. Taghikhani, G. A. Parsafar, Rate Constant Computation: An Application of Direct Dynamics
Calculations, Kharazmi Journal of Chemistry, 1, 19, 2005. (PDF)
47.
K. Khosravi, H. Sabzyan, A. Zeini, G. A. Parsafar, A More Accurate Prediction of Liquid
Evaporation Flux, Iran J. Chem. Chem. Eng. 23, 45, 2004. (PDF)
48.
G. A. Parsafar, H. Saydi, Accuracy of Different EOSs in Predicting the Ideal Curve and Driving
the Temperature Dependencies of Their Parameters, Int. J. Thermophys. 25, 1819, 2004. (PDF)
49.
M. R.Arshadi, M. Lashkari, G.A Parsafar, Cluster Approach to Corrosion Inhibition Problems,
Interaction Studies, Material Chemistry and Physics, 86, 311, 2004. (PDF)
50.
M. Ghaemi, B. Mirza, G.A. Parsafar, Constructing the Critical Cure for a Symmetric Two- Layer
Ising Model, J. Theoretical and Computational Chemistry, 3, 217, 2004. (PDF)
51.
G. A. Parsafar, F. Madani, Deriving Analytical Expression for the Fugacity Coefficient of the
Supercritical Fluids, High Temperatures-High Pressures, 35/36,529 (2003). (PDF)
52.
F. Kermanpour, G.A. Parsafar, G. A. Mansoori, Investigation of Temperature and Density
Dependences of the Effective Pair Potential Parameters Using Variational Theory, Int.
J.Thermophys. 25, 187, 2004. (PDF)
53.
M. Khanpour, G. A. Parsafar, B. Najafi, Analytic Solution to Integral Equations of Liquid State
Theories for Potentials with a Hard Core at Low, J. Phys. Soc .Japan, 73,1197, 2004. (PDF)
54.
H. Farrokhpour, G. A. Parsafar, A New Analytical Expression for the Free Energy of Hard-Core
Fluids, J. Physical Soc. of Japan, 72, 2747, 2003. (PDF)
55.
G. A. Parsafar, Z. Kalantar, Extension of Linear Isotherm Regularity to LongAlkanes, Iran. J.
Chem.Chem. Eng., 22,1, 2003. (PDF)
56.
M. Ghaemi, G. A. Parsafar, Size Reduction of the transfer Matrix of Two-Dimensional Ising and
Potts Models, Iranian Journal of Physics, 4, 1, 2004. (PDF)
57.
Y. Ghayeb, B. Najafi, V. Moeini, G. A. Parsafar, Viscosity Calculation of Supercritical Gases
Based on the Modified Enskog Theory,High Temperatures-High pressures, 35/36, 217, 2003.
(PDF)
58.
Y. Ghayeb, B. Najafi, B. Daneshman, G. A. Parsafar, Three ParameterCorrelation Functions for
the Calculation of Thermal Conductivity of Gases and Liquids, High Temperatures-High
pressures, 35/36, 313, 2003. (PDF)
59.
Y. Ghayeb, B. Najafi, V. Moeini, G.A. Parsafar, Viscosity Calculation of Supercritical Gases
Based on the Rainwater-Friend Theory and the Modified Enskog Theory, Iran. J. Chem. and
Chem. Eng. 21, 74, 2002. (PDF)
60.
G. A. Parsafar, F. Kermanpour, Prediction of Temperature and Density Dependencies of the
Parameters of the Average Effective Binary Mixture Pair Potential Using only the LIR Equation
of State, Int. J. Thermophys. 22, 1795, 2001. (PDF)
61.
M. Ghaemi, G. A. Parsafar, M. Ashrafizaadeh, Calculation of Critical Temperaure for 2-and 3-
Dimensional Ising Models and Potts Models Using the Transfer Matrix Method, J. Phys. Chem.
B 105, 10355, 2001. (PDF)
62.
G. A. Parsafar, V. Moeini, B. Najafi, Pressure Dependency of Liquid Vapor Pressure, Gibbs
Prediction Improvement, Iranian J. Chem. Chem. Eng. 20, 37, 2001. (PDF)
63.
E. Keshavarzi, G. A. Parsafar, The Direct Correlation Function and its Interpretation via the
Linear Isotherm Regularity, Journal of Physical Society of Japan, 70, 1101, 2001. (PDF)
64.
G. A. Parsafar, S. A. Norian, Intersection Points In Dense Fluids Using Equations of State,
Iranian Physics Research ,1 ,301, 2001. (PDF)
65.
B. Najafi, Y. Ghaeb, G. A. Parsafar, New Correlation functionViscosity Calculation of Gases over
Wide Temperature andPressure Ranges, Int. J. Thermophys, 21, 1011, 2000. (PDF)
66.
G. A. Parsafar, E. Keshavarzi, Solubility Predection Using Statistical, Bull. of Chem. Soc. of, 73,
2445, 2000. (PDF)
67.
G. A. Parsafar, E.Noparast, E. Keshavarzi, Coomparison of Equations of State from Joule-
Thomson Coefficient, J. Sci. I. R. Iran, 11, 109, 2000. (PDF)
68.
G. A. Parsafar, N. Farzi, Investigation of Isothermal Intersection Point of Solids Using Equation
of, Iranian Physics Research,1, 45, 1999. (PDF)
69.
Sh. Ranjbar, G. A. Parsafar, A New Exact Method for Solving the Two-Dimensional Ising Model,
J. Phys. Chem. B, 103, 7514, 1999. (PDF)
70.
G. A. Parsafar, F. Kermanpour, B. Najafi, Prediction of the Temperature, and Density
Dependencies of the Parameters of the Average Effective Pair Potential Using only the LIR
Equation ofState, J. Phys. Chem. B, 103, 7287, 1999.. (PDF)
71.
E. Keshavarzi, G. A. Parsafar, Prediction of the Metal-Non-Metal Transition Using the Linear
Isotherm Regularity; J. Phys. Chem. B. 103, 6584, 1999. (PDF)
72.
E. Keshavarzi, G.A. Parsafar, B. Najafi, Predection of the InversionCurve and the Maximum
Value of μJ-T for Some Refrigerant, Int. J. Themophys., 20, 651, 1999. (PDF)
73.
E. Keshavarzi, G. A. Parsafar, B. Najafi, Inversion Prediction of Attraction Branch of the
Effective Pair Potential by Using The Joule-Thomson Curve, Int. J. Thermophys., 20, 643, 1999.
(PDF)
74.
S. Ranjbar, G.A. Parsafar, B. Najafi, Calculation of Osmotic Pressure Using A Closed System
Model, J. Sci. I. R. Iran, 10, 233, 1999. (PDF)
75.
G. A. Parsafar, Y. Ghayeb: A New Tri-Parametrical Law of Corresponding States for Subcritical
Dense Fluids, Iran J. Chem. and Chem. Eng. 17, 49, 1998. (PDF)
76.
N. Farzi, G. A. Parsafar, Common Intersection Points of Binary Mixtures: Unlike Interactions
Compared to Like Ones, J. Phys. Chem. B.101, 8578, 1997. (PDF)
77.
G. A. Parsafar, N. Farzi, B. Najafi, A General Equation of State for Dense Fluids, Int. J.
Thermophys., 18, 1197, 1997. (PDF)
78.
B. Najafi, G. A. Parsafar, Extension of Linear Isotherm Regularity to Low Density range; J. SC.
I. R. Iran, 8, 236, 1997. (PDF)
79.
G. A. Parsafar, K. Khosravi Darani, Surface (100) for f.c.c Platinum and Gold Using Monte-
Carlo, Iranian Physics Research, 2,86, 1992. (PDF)
80.
G. A. Parsafar, N. Sohraby, Density Calculation of Compressed LiquidUsing LIR Along with
Mixing and Combining Rules: J. Phys.Chem.100, 12644, 1996..(PDF)
81.
S. Alavi, G. A. Parsafar, B. Najafi, Selected Thermophysical Properties of Dense Fluids Using a
General Regularity, Int. J. Thermophys., 16, 1421, 1995. (PDF)
82.
G. A. Parsafar, An Accurate Solution for Two-Dimensional Model of Albite Using Statistical
Mechanics, J. Sci. I. R. Iran, 6. 38, 1995. (PDF)
83.
G. Parsafar, Statistical-Mechanical Model Calculation of Thermodynamic Properties of Albite
Using a Two-Dimensional-Model, J. Sci. I. R. Iran, 6, 169, 1995. (PDF)
84.
B. Najafi, G. A. Parsafar, S.Alavi, Investigation of some Regularities for Dense Fluids Using a
Simple Equation of State, J. Phys. Chem. 99, 9248, 1995. (PDF)
85.
G. A. Parsafar, E.A. Mason, Linear Isotherms for Dense Fluids: Extension to Mixtures, J. Phys.
Chem. 98, 1962, 1994. (PDF)
86.
G. A. Parsafar, E.A. Mason, Universal Equation of State for Compressed, Phys. Rev. B, 49, 3049,
1994. (PDF)
87.
G. A. Parsafar, Effect of the Next nearest Neighbor Interaction on the Order-Disorder Phase
Transition, J. Sci. I. R. Iran, 4, 23, 1993. (PDF)
88.
G. A. Parsafar, E.A. Mason, Linear Isotherms for Dense Fluids: A New Regularity, J. Phys.
Chem., 97, 9048, 1993. (PDF)
89.
G. A. Parsafar, F. Kermanpour, Calculation of Thermodynamic Properties of Fluids Using a New
Equation of State, Iran. J. Chem. & Chem. Eng. 11, 24, 1992. (PDF)
90.
G. A. Parsafar, Deriving the Equation of State for Liquids and Extension of theof Corresponding
States, J. Sci. I. R. Iran, 2, 111, 1991. (PDF)
91.
G. A. Parsafar, Y. Ghayeb, A Study of Na/K Feldspar Solid Solution Using Statistical mechanics,
Iran J. Chem. & Chem. Eng. 10,4, 1991. (PDF)
92.
G. A. Parsafar, Exact Solution to the One-and Two Dimensional Models of the Binary Lattice
with Nearest Neighbor Interactions, J. Phys. Chem. 94, 3795, 1990. (PDF)
93.
G. Rajabali, A Metastable State of Albite (at Some Temperatures), Iran. J. Sci. & Techn.12, 15,
1988.(PDF)
94.
G. Rajabali, Ordering Behavior of Albite Using the Modified Sequential Construction Method,
Am. Mineral.73, 91, 1988. (PDF)
95.
G. Rajabali, Importance of the Size of the Unit in Models of Orderingfor Albite, Am. Mineral,
72, 83, 1987. (PDF)
96.
G. Rajabali, Calculation of Order Parameter and the Configurational Entropy ofAlbite Using the
Sequential Construction Method, J. Chem. Soc. Faraday Trans., 2, 473, 1986. (PDF)
97.
G. Rajabali, and R. M. Mazo, Generalization of the Kikuchi-Hijmans-deBoor: Method for Order
Disorder Problem to Complex Lattice, Int.Qunt. Chem., 16, 117, 1982. (PDF)
Compared to that of Total Pressure, Industrial & Engineering Chemistry Research, 2013, Accepted
Manuscript. (link)
2.
M. SadeghiG. Parsafar, Density-Induced Molecular Arrangements of Water Inside Carbon Nanotubes,
Physical Chemistry Chemical Physics ,15, 7379, 2013.(link)
3.
F. R. Negreiros, F. Taherkhani, G. Parsafar, A. Caro, and A. Fortunelli, Kinetics of chemical ordering in
a Ag-Pt nanoalloy particle via first-principles simulations, Journal of Chemical Physics, 137, 194302,
2012. (link)
4.
H. Akkbarzade, G. Parsafar, Y. Bayat, Structural Stability of Nano-sized Crystals of HMX: A
Molecular Dynamics Simulation Study, Applied Surface Science, 258, 2226, 2012.(link)
5.
F. Safdari, G. Parsafar, Influence of Quantum Effect on Deviation from Linear Isotherm
Regularity, Scientia Iranica, 19, 555, 2012. (PDF)
6.
M. Sadeghi, G. Parsafar, Toward an Equation of State for Water inside Carbon Nanotubes,
Journal of Physical Chemistry B, 116 , 4943, 2012. (PDF)
7.
H. Akbarzadeh, H. Abroshan, F. Taherkhani, G. Parsafar, Calculation of Thermodynamic
Properties of Ni Nanoclusters via Selected Equations of State Based on Molecular Dynamics
Simulations, Solid State Communications, 151, 965, 2011 (PDF)
8.
F. Taherkhani, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, Investigation of
Magnetic Field Effect on Surface and Finite-Site Free energy in One-Dimensional Ising Model of
Nanosystems Phase Transitions, 84, 613, 2011. (PDF)
9.
F. Taherkhani, E. Daryaei, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, On the
Existence of an Analytic Solution to the 1-D Ising Model with Nearest and Next-nearest Neighbor
Interactions in the Presence of a Magnetic Field, Phase Transitions, 84, 77, 2011. (PDF)
10.
F. Taherkhani, H. Abroshan, H. Akbarzadeh, G. Parsafar and A. Fortunelli, Investigation of
Magnetic Field Effect on Surface and Finite-Site Free energy in One-Dimensional Ising Model of
Nanosystems Phase Transitions, iFirst, 1, 2011. (PDF)
11.
F. Taherkhani, E. Daryaei, G. Parsafar and A. Fortunelli, Investigation of Size Effects on the
Physical Properties of One-Dimensional Ising Models in Nanosystems, Molecular Physics, 109,
385, 2011. (PDF)
12.
H. Abroshan, H. Akbarzadeh, F. Taherkhani, G. Parsafar, Effect of Water:Methanol Content on
the Structure of Nafion in the Sandwich Model and Solvent Dynamics in Nano-Channels: A
Molecular Dynamics Study, Molecular Physics, 109, 709, 2011. (PDF)
13.
C. Izanloo, G. Parsafar, H. Abroshan, H. Akbarzadeh, Calculation of Melting Temperature and
Transition Curve for Dickerson DNA Dodecamer on the Basis of Configurational Entropy,
Hydrogen Bonding Energy, and Heat Capacity: A Molecular Dynamics Simulation Study, J.
Iranian Chemical Society, 8, 708, 2011. (PDF)
14.
C. Izanloo, G. Parsafar, H. Abroshan, H. Akbarzadeh, Denaturation of Drew:Dickerson DNA in a
High Salt Concentration Medium: Molecular Dynamics Simulations, Journal of Computational
Chemistry, 32, 3354, 2011. (PDF)
15.
H. Akbarzadeh, H. Abroshan, F. Taherkhani, C. Izanloo, G. Parsafar, Size Dependence and Effect
of Potential Parameters on Properties of Nano-Cavities in Liquid Xenon Using Molecular
Dynamics Simulation, Chemical Physics, 381, 44, 2011 (PDF)
16.
H. Alizadeh Osgouei, G. Parsafar, H. Akbarzadeh, Density and Temperature Dependencies of
Liquid Surface Tension, Iran. J. Chem. Chem. Eng., 30, 79, 2011. (PDF)
17.
H. Akbarzadeh, H. Abroshan, G. A. Parsafar, Surface Free Energy of Platinum Nanoparticles at
Zero Pressure: A Molecular Dynamic Study, Solid State Communications, 150, 254, 2010.
(PDF)
18.
G. A. Parsafar, H. V. Spohr, G. N. Patey, An Accurate Equation of State for Fluids and Solids, J.
Physical Chemistry B, 113, 11977, 2009. (PDF)
19.
H. Akbarzadeh, G. A. Parsafar, A Molecular-Dynamics Study of Thermal and Physical Properties
of Platinum Nanoclusters, Fluid Phase Equilibria, 280, 16, 2009. (PDF)
20.
A. Alizadeh, G. A. Parsafar, Mechanism of Water permeation through Modified Carbon
Nanotubes as a Model for Peptide Nanotube Channels, International Journal of
Nanotechnology, 6, 926, 2009. (PDF)
21.
A. M. Nassimi, G. A. Parsafar, Sensitivity of the Population of States to the Value of q and
Legistimate Range of q in Tsallis Statistics, J. Iran Chemical Society, 6,341, 2009. (PDF)
22.
M. Shokouhi, G. A. Parsafar, M. Dinpajooh, Deriving Linear Isotherms for Solids, Fluid Phase
Equilibria, 271, 94, 2008. (PDF)
23.
H. Akbarzadeh, M. Shokouhi, G. A. Parsafar, Using Molecular Dynamic Simulation Data of
Calcite in a Wide Pressure Range to Calculate Some of Its Thermodynamic Properties via Some
Universal Equations of State, Molecular Physics, 106, 2545, 2008. (PDF)
24.
H. Behzadi, D. van der Spole, M. D. Esrafili, G. A. Parsafar, N. Hadipour, Role of Spin State on
the Geometry and Nuclear Qudrupole Resonance Parameters in Hemin Complex, Biophysical
Chemistry, 134, 200, 2008. (PDF)
25.
H. Behzadi, M. D. Esrafili, D. van der Spole, N. Hadipour, G. A. Parsafar, A Theoretical Study of
Repeating Sequence in HRP II: A Combination of Molecular Dynamics Simulations and 17-O
Quadrupole Coupling Tensor, Biophysical Chemistry, 137, 76, 2008. (PDF)
26.
M. Shokouhi, G. A. Parsafar, the Effect of Steepness of Soft-Core Square-Well Potential Model
on Some Fluid Properties, Molecular Physics,106, 103, 2008. (PDF)
27.
M. Shokouhi, G. A. Parsafar, A New Equation of State Derived by the Statistical Mechanical
Perturbation Theory, Fluid Phase Equilibria, 264, 1, 2008. (PDF)
28.
M. Khanpour, G. A. Parsafar, New Equations of State for Hard Disk Fluid by Asympotic
Expansion Method, Fluid Phase Equilibria, 262, 157, 2007. (PDF)
29.
M. Taghikhani, G. A. Parsafar, Theoretical Investigation of the Hydrogen Abstraction Reaction of
the OH Radical with CH2FCH2F(HFC-52):A Dual-Level Direct Dynamics Study, J. Physical
Chemistry. A,111, 8095, 2007. (PDF)
30.
M. Nahaly, G. A. Parsafar, E. Ghoharshadi, Investigation of a New Mean Temperature-
Dependent Potential Energy Function for Methane and Its Use for the Prediction of Transport
Properties, Molecular Physics, 105,1453, 2007. (PDF)
31.
M. Khanpour, G. A. Parsafar, A Simple Method of Generating Equations of State for Hard Sphere
Fluid, Chemical Physics, 333, 208, 2007. (PDF)
32.
M. Khanpour, G. A. Parsafar, B. Najafi, Calculation of Thermodynamic Properties of Simple
Fluids Using a New Derived Pair Correlation Function, Fluid Phase Equilibria, 254,138, 2007.
(PDF)
33.
A. M. Nassimi, G. A. Parsafar, Making Thermodynamic Functions of Nanosystems Intensive, J.
Phys. Condens Matter,19,1, 2007. (PDF)
34.
G. A. Parsafar, Z. Kalantar, Calculation of Transport Properties of Dense Fluids Using Modified
Enskog Theory and an Appropriate Equation of State, Fluid Phase Equilibria, 235,108, 2007.
(PDF)
35.
G. A. Parsafar, and I. Ahadzadeh, Effect of Attraction Range of Pair Potential on the
Thermodynamic Properties of Fluids, Scientia Iranica, 14, 118, 2007. (PDF)
36.
G. A. Parsafar, A. Panahi, Extension of the Dense System Equation of State to Electrolyte
Solutions, Iran. J.Chemical and Chemical Engineering., 26, 17, 2007. (PDF)
37.
F. Taherkhani, G. A. Parsafar, M. R. Rahimitabar, Kinetic Investigation of Small Systems Using
Different Algorithms, The Journal of Iranian Chemical Society, 3, 327, 2006. (PDF)
38.
G. A. Parsafar, M. Shokouhi, Modification of a New Potential Model Used for Calculation of the
Second Virial Coefficient and Zero Density Transport Properties, Molecular Physics, 104, 3269,
2006. (PDF)
39.
G. A. Parsafar, M. Khanpour, A. A. Mohammadi, Calculation of Equilibrium and Transport
Properties Using Modified Hard-Core Potential Models, Chemical Physics, 326, 527, 2006.
(PDF)
40.
G.A. Parsafar, C. Izanloo, Driving Analytical Expressions for the Ideal Curves and Using the
Curves to Obtain the Temperature Dependence of Equation-of-State Parameters, Int. J.
Thermophys. , 27, 1564, 2006. (PDF)
41.
A. N. Shamkhali, G. A. Parsafar, Effect of Model Potential of Adsorptive Bond on the
Thermodynamic Properties of Adsorbed CO Molecules on Ni(111) Surface, J. Phys. Chem. B,
110, 20435, 2006. (PDF)
42.
M. Lashkari, M. R. Arshadi, G. A. Parsafar, V. A. Sastri, Cluster/Polarized Continuum Models
for Density Functional Theory Investigations of Benzimidazole Corrosion Inhibitors at
Metal/Solution Interface, Corrosion, 63, 199, 2006. (PDF)
43.
G. A. Parsafar, Z. Kalantar, Extension of Linear Isotherm Regularity to Long Range Primary,
Secondary and Tertiary Alcoholes, Ketones and 1-Carboxylic Acids by Group Contribution
Method, Fluid Phase Equilibria, 234, 11, 2005. (PDF)
44.
M. Taghikhani, G. A. Parsafar, H. Sabzyan, Theoretical Investigation of Hydrogen Abstraction
Reaction of the (OH) Radical with CH3CHF2 (HFC 152-a) : A Dual Level Density Functional
Theory Dynamics Study, J. Phys. Chem. A, 109, 8158, 2005. (PDF)
45.
M. Lashkari, M. R. Arshadi, G. A. Parsafar, A Simple and Fast Method for Comparison of
Corrosion Inhibitor Powers Between Pairs of Pyridine Derivatives, Corrosion, 61(8), 778, 2005.
(PDF)
46.
M. Taghikhani, G. A. Parsafar, Rate Constant Computation: An Application of Direct Dynamics
Calculations, Kharazmi Journal of Chemistry, 1, 19, 2005. (PDF)
47.
K. Khosravi, H. Sabzyan, A. Zeini, G. A. Parsafar, A More Accurate Prediction of Liquid
Evaporation Flux, Iran J. Chem. Chem. Eng. 23, 45, 2004. (PDF)
48.
G. A. Parsafar, H. Saydi, Accuracy of Different EOSs in Predicting the Ideal Curve and Driving
the Temperature Dependencies of Their Parameters, Int. J. Thermophys. 25, 1819, 2004. (PDF)
49.
M. R.Arshadi, M. Lashkari, G.A Parsafar, Cluster Approach to Corrosion Inhibition Problems,
Interaction Studies, Material Chemistry and Physics, 86, 311, 2004. (PDF)
50.
M. Ghaemi, B. Mirza, G.A. Parsafar, Constructing the Critical Cure for a Symmetric Two- Layer
Ising Model, J. Theoretical and Computational Chemistry, 3, 217, 2004. (PDF)
51.
G. A. Parsafar, F. Madani, Deriving Analytical Expression for the Fugacity Coefficient of the
Supercritical Fluids, High Temperatures-High Pressures, 35/36,529 (2003). (PDF)
52.
F. Kermanpour, G.A. Parsafar, G. A. Mansoori, Investigation of Temperature and Density
Dependences of the Effective Pair Potential Parameters Using Variational Theory, Int.
J.Thermophys. 25, 187, 2004. (PDF)
53.
M. Khanpour, G. A. Parsafar, B. Najafi, Analytic Solution to Integral Equations of Liquid State
Theories for Potentials with a Hard Core at Low, J. Phys. Soc .Japan, 73,1197, 2004. (PDF)
54.
H. Farrokhpour, G. A. Parsafar, A New Analytical Expression for the Free Energy of Hard-Core
Fluids, J. Physical Soc. of Japan, 72, 2747, 2003. (PDF)
55.
G. A. Parsafar, Z. Kalantar, Extension of Linear Isotherm Regularity to LongAlkanes, Iran. J.
Chem.Chem. Eng., 22,1, 2003. (PDF)
56.
M. Ghaemi, G. A. Parsafar, Size Reduction of the transfer Matrix of Two-Dimensional Ising and
Potts Models, Iranian Journal of Physics, 4, 1, 2004. (PDF)
57.
Y. Ghayeb, B. Najafi, V. Moeini, G. A. Parsafar, Viscosity Calculation of Supercritical Gases
Based on the Modified Enskog Theory,High Temperatures-High pressures, 35/36, 217, 2003.
(PDF)
58.
Y. Ghayeb, B. Najafi, B. Daneshman, G. A. Parsafar, Three ParameterCorrelation Functions for
the Calculation of Thermal Conductivity of Gases and Liquids, High Temperatures-High
pressures, 35/36, 313, 2003. (PDF)
59.
Y. Ghayeb, B. Najafi, V. Moeini, G.A. Parsafar, Viscosity Calculation of Supercritical Gases
Based on the Rainwater-Friend Theory and the Modified Enskog Theory, Iran. J. Chem. and
Chem. Eng. 21, 74, 2002. (PDF)
60.
G. A. Parsafar, F. Kermanpour, Prediction of Temperature and Density Dependencies of the
Parameters of the Average Effective Binary Mixture Pair Potential Using only the LIR Equation
of State, Int. J. Thermophys. 22, 1795, 2001. (PDF)
61.
M. Ghaemi, G. A. Parsafar, M. Ashrafizaadeh, Calculation of Critical Temperaure for 2-and 3-
Dimensional Ising Models and Potts Models Using the Transfer Matrix Method, J. Phys. Chem.
B 105, 10355, 2001. (PDF)
62.
G. A. Parsafar, V. Moeini, B. Najafi, Pressure Dependency of Liquid Vapor Pressure, Gibbs
Prediction Improvement, Iranian J. Chem. Chem. Eng. 20, 37, 2001. (PDF)
63.
E. Keshavarzi, G. A. Parsafar, The Direct Correlation Function and its Interpretation via the
Linear Isotherm Regularity, Journal of Physical Society of Japan, 70, 1101, 2001. (PDF)
64.
G. A. Parsafar, S. A. Norian, Intersection Points In Dense Fluids Using Equations of State,
Iranian Physics Research ,1 ,301, 2001. (PDF)
65.
B. Najafi, Y. Ghaeb, G. A. Parsafar, New Correlation functionViscosity Calculation of Gases over
Wide Temperature andPressure Ranges, Int. J. Thermophys, 21, 1011, 2000. (PDF)
66.
G. A. Parsafar, E. Keshavarzi, Solubility Predection Using Statistical, Bull. of Chem. Soc. of, 73,
2445, 2000. (PDF)
67.
G. A. Parsafar, E.Noparast, E. Keshavarzi, Coomparison of Equations of State from Joule-
Thomson Coefficient, J. Sci. I. R. Iran, 11, 109, 2000. (PDF)
68.
G. A. Parsafar, N. Farzi, Investigation of Isothermal Intersection Point of Solids Using Equation
of, Iranian Physics Research,1, 45, 1999. (PDF)
69.
Sh. Ranjbar, G. A. Parsafar, A New Exact Method for Solving the Two-Dimensional Ising Model,
J. Phys. Chem. B, 103, 7514, 1999. (PDF)
70.
G. A. Parsafar, F. Kermanpour, B. Najafi, Prediction of the Temperature, and Density
Dependencies of the Parameters of the Average Effective Pair Potential Using only the LIR
Equation ofState, J. Phys. Chem. B, 103, 7287, 1999.. (PDF)
71.
E. Keshavarzi, G. A. Parsafar, Prediction of the Metal-Non-Metal Transition Using the Linear
Isotherm Regularity; J. Phys. Chem. B. 103, 6584, 1999. (PDF)
72.
E. Keshavarzi, G.A. Parsafar, B. Najafi, Predection of the InversionCurve and the Maximum
Value of μJ-T for Some Refrigerant, Int. J. Themophys., 20, 651, 1999. (PDF)
73.
E. Keshavarzi, G. A. Parsafar, B. Najafi, Inversion Prediction of Attraction Branch of the
Effective Pair Potential by Using The Joule-Thomson Curve, Int. J. Thermophys., 20, 643, 1999.
(PDF)
74.
S. Ranjbar, G.A. Parsafar, B. Najafi, Calculation of Osmotic Pressure Using A Closed System
Model, J. Sci. I. R. Iran, 10, 233, 1999. (PDF)
75.
G. A. Parsafar, Y. Ghayeb: A New Tri-Parametrical Law of Corresponding States for Subcritical
Dense Fluids, Iran J. Chem. and Chem. Eng. 17, 49, 1998. (PDF)
76.
N. Farzi, G. A. Parsafar, Common Intersection Points of Binary Mixtures: Unlike Interactions
Compared to Like Ones, J. Phys. Chem. B.101, 8578, 1997. (PDF)
77.
G. A. Parsafar, N. Farzi, B. Najafi, A General Equation of State for Dense Fluids, Int. J.
Thermophys., 18, 1197, 1997. (PDF)
78.
B. Najafi, G. A. Parsafar, Extension of Linear Isotherm Regularity to Low Density range; J. SC.
I. R. Iran, 8, 236, 1997. (PDF)
79.
G. A. Parsafar, K. Khosravi Darani, Surface (100) for f.c.c Platinum and Gold Using Monte-
Carlo, Iranian Physics Research, 2,86, 1992. (PDF)
80.
G. A. Parsafar, N. Sohraby, Density Calculation of Compressed LiquidUsing LIR Along with
Mixing and Combining Rules: J. Phys.Chem.100, 12644, 1996..(PDF)
81.
S. Alavi, G. A. Parsafar, B. Najafi, Selected Thermophysical Properties of Dense Fluids Using a
General Regularity, Int. J. Thermophys., 16, 1421, 1995. (PDF)
82.
G. A. Parsafar, An Accurate Solution for Two-Dimensional Model of Albite Using Statistical
Mechanics, J. Sci. I. R. Iran, 6. 38, 1995. (PDF)
83.
G. Parsafar, Statistical-Mechanical Model Calculation of Thermodynamic Properties of Albite
Using a Two-Dimensional-Model, J. Sci. I. R. Iran, 6, 169, 1995. (PDF)
84.
B. Najafi, G. A. Parsafar, S.Alavi, Investigation of some Regularities for Dense Fluids Using a
Simple Equation of State, J. Phys. Chem. 99, 9248, 1995. (PDF)
85.
G. A. Parsafar, E.A. Mason, Linear Isotherms for Dense Fluids: Extension to Mixtures, J. Phys.
Chem. 98, 1962, 1994. (PDF)
86.
G. A. Parsafar, E.A. Mason, Universal Equation of State for Compressed, Phys. Rev. B, 49, 3049,
1994. (PDF)
87.
G. A. Parsafar, Effect of the Next nearest Neighbor Interaction on the Order-Disorder Phase
Transition, J. Sci. I. R. Iran, 4, 23, 1993. (PDF)
88.
G. A. Parsafar, E.A. Mason, Linear Isotherms for Dense Fluids: A New Regularity, J. Phys.
Chem., 97, 9048, 1993. (PDF)
89.
G. A. Parsafar, F. Kermanpour, Calculation of Thermodynamic Properties of Fluids Using a New
Equation of State, Iran. J. Chem. & Chem. Eng. 11, 24, 1992. (PDF)
90.
G. A. Parsafar, Deriving the Equation of State for Liquids and Extension of theof Corresponding
States, J. Sci. I. R. Iran, 2, 111, 1991. (PDF)
91.
G. A. Parsafar, Y. Ghayeb, A Study of Na/K Feldspar Solid Solution Using Statistical mechanics,
Iran J. Chem. & Chem. Eng. 10,4, 1991. (PDF)
92.
G. A. Parsafar, Exact Solution to the One-and Two Dimensional Models of the Binary Lattice
with Nearest Neighbor Interactions, J. Phys. Chem. 94, 3795, 1990. (PDF)
93.
G. Rajabali, A Metastable State of Albite (at Some Temperatures), Iran. J. Sci. & Techn.12, 15,
1988.(PDF)
94.
G. Rajabali, Ordering Behavior of Albite Using the Modified Sequential Construction Method,
Am. Mineral.73, 91, 1988. (PDF)
95.
G. Rajabali, Importance of the Size of the Unit in Models of Orderingfor Albite, Am. Mineral,
72, 83, 1987. (PDF)
96.
G. Rajabali, Calculation of Order Parameter and the Configurational Entropy ofAlbite Using the
Sequential Construction Method, J. Chem. Soc. Faraday Trans., 2, 473, 1986. (PDF)
97.
G. Rajabali, and R. M. Mazo, Generalization of the Kikuchi-Hijmans-deBoor: Method for Order
Disorder Problem to Complex Lattice, Int.Qunt. Chem., 16, 117, 1982. (PDF)
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