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سعید یگانگی

دانشکده شیمی:شیمی فیزیک

سعید یگانگی
متولد 1347
محل تولد: آبادان
متاهل دارای دو فرزند


 
B. Sc. In Pure chemistry, 1991, Shiraz University, Iran
M. Sc. In Physical-chemistry, 1994, Mazandaran University, Iran
Ph. D. In Physical-chemistry, 2000, Tehran University, Iran
 
مقالات علمی – پژوهشی منتشر شده در مجلات علمي و پژوهشي معتبر داخلي و خارجي
 
Saeed Yeganegi."Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation." Journal of the Physical Society of Japan, Vol. 72, No.9 (2003.
 
Saeed Yeganegi*,Masoud Darvish Ganji. "Dependence of thermal diffusion factor of binary mixtures to the thermodynamic state by NEMD simulation."  Chemical Physics, 318 (2005). 
 
Saeed Yeganegi*,Mahdieh Zolfaghari. "Non-equilibrium molecular dynamics calculation of thermal diffusion factor in binary mixtures of hard spheres."  Fluid Phase Equilibria, 243 (2006).
 
Saeed Yeganegi*,Ebrahim Pak. "The effect of corrugation of pore wall on the thermal diffusion in nanopores by molecular dynamics simulations."  Chemical Physics, 333 (2007).
 
Saeed Yeganegi*, Mojdeh Anbarfam. "Comparison of Efficiency Equilibrium and Non-Equilibrium Molecular Dynamics Calculations of Thermal Diffusion factor."  Journal of Physical society of Japan, Vol. 76, No. 4 (2007).
 
Mahshid Hamzehlooian*, Saeed Yeganegi.  "Structural and NBO studies of Anomeric Effect in Polyoxa Polyaza Polycyclics."  Asian Journal of Chemistry, Vol. 19, No. 6 (2007).
 
Saeed Yeganegi*,Muhammad Shadman. "Thermal diffusion Factor of Model 2CLJD Mixtures from Non-Equilibrium Molecular Dynamics."  Chemical Physics Letter, 451 (2007). 
 
Maryam Khoshroo, Abbas A. Rostami, Saeed Yeganegi. "Cyclic voltammetric and computational study of a 4-bromophenyl monolayr on a glassy carbon electrode."  Monatch Chem, 139 (2008).
 
Saeed Yeganegi, Mahdi Forozani, Abas Ali Keshvari, Mahmood Tajbakhsh*. "Theoretical study of energetics and mechanisms of cis–trans interconversion of 1,3-diphenyltriazene."  Journal of Molecular Structure: THEOCHEM, (2008).
 
Saeed Yeganegi* , Azita A. Khalili, Mahshid Hamzehlooian. "Thermal Diffusion Factor of Binary Mixtures of Square Well Fluids." Journal of Physical society of Japan, Vol. 77, No. 7 (2008).
 
Farhoush Kiani, Saeed Yeganegi, Abbas Ali Rostami. "Ab initio Study of Restricted Rotation in N-Nitroso-azirine and N-Nitroso-diaziridine." Asian Journal of Chemistry, 20 (2008).
 
Muhammad Shadmana, Saeed Yeganegi, Farhood Ziaie. "Ab initio interaction potential of methane and nitrogen." Chemical Physics Letters, 467 (2009): 237–242. 
 
Farhood Ziaie, Muhammad Shadman, Saeid Yeganegi, Ali Mollaie, Abbas Majdabadi. "Investigation on polycarbonate nanomembrane production based on alpha particles irradiation." NUKLEONIKA, 54 (2009): 157-161.
 
Muhammad Shadman, Farhood Ziaie, Saeid Yeganegi, Behrooz Niazi, Farshid Ziaee, Abbas Majdabad." Track  PVB  membrane  based  on  irradiation  with  high energy protons." e-Polymers, 79 (2009): 1-11.
 
Kamal Alimohammadi, Yaghoub Sarrafi, Mahmood Tajbakhsh, Saeed Yeganegi, Mahshid Hamzehloueian. "An experimental and theoretical investigation of the regio- and stereoselectivity of the polar [3þ2] cycloaddition of azomethine ylides to nitrostyrenes." Tetrahedron, 67 (2011): 1589-1597.
 
Saeid Yeganegi and Naser Darzi. "Ab Initio Intermolecular Potential Energy Surface of CO2–C2H2 Complex." Acta Chim. Slov., 58 (2011): 233–240.
 
Simon S. Iremonger, Junmei Liang, Ramanathan Vaidhyanathan, Isaac Martens, George K. H. Shimizu, Thomas, D. Daff, Mohammad Zein Aghaji, Saeid Yeganegi, and Tom K. Woo. "Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks." J. Am. Chem. Soc., 133 (2011): 20048–20051.
 
Zohreh Ahadi & Muhammad Shadman & Saeed Yeganegi & Farid Asgari. "Hydrogen adsorption capacities of multi-walled boron nitride nanotubes and nanotube arrays: a grand canonical Monte Carlo study." J Mol Model, 18 (2012): 2981–2991.
 
Saeid Yeganegi and Fatemeh  Gholampour. "Separation  of  Biogas  Components  with  Single  Wall  Carbon Nanotubes:  a  GCMC  Simulation." Acta Chim. Slov., 59 (2012): 888–896.
 
Saeid Yeganegi, Azim Soltanabadi, and Davood Farmanzadeh. "Molecular Dynamic Simulation of Dicationic Ionic Liquids: Effects of Anions and Alkyl Chain Length on Liquid Structure and Diffusion." J. Phys. Chem. B, 116 (2012): 11517−11526.
 
Yaghoub Sarrafi, Mahshid Hamzehloueian, Kamal Alimohammadi, Saeid Yeganegi. "Experimental and theoretical approaches to [1,5]-prototropic generation of an azomethine ylide and a 1,3-dipolar cycloaddition for novel spiropyrrolidine oxindoles synthesis." Journal of Molecular Structure, 1030 (2012): 168–176.
 
Saeid Yeganegi, Panah Kameli."Thermal diffusion factor of Stockmayer mixtures: A non-equilibrium molecular dynamic study." Chemical Physics, 415 (2013): 119–123.
 
Masoud Darvish Ganji&  Mahnaz Nashtahosseini& Saeed Yeganegi & Mahyar Rezvani. "First-principles vdW-DF investigation on the interaction between the oxazepam molecule and C60 fullerene." J Mol Mode, 19 (2013): 1929–1936.
 
Saeid Yeganegi, Vahid Sokhanvarana & Azim Soltanabadi. "Study of thermodynamic properties of imidazolium-based ionic liquids and investigation of the alkyl chain length effect by molecular dynamics simulation." Molecular Simulation, 39 (2013): 1070-1078.
 
Saeid Yeganegi & Fatemeh Gholampour. "Methane adsorption and diffusion in a model nanoporous carbon:an atomistic simulation study." Adsorption, 19 (2013): 979–987.
 
Mahshid Hamzehlooian, Saied Yeganegi, Yaghoub Sarrafi, Kamal Alimohammad, Marzieh Sadatshahabi. "A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1,3-dipolar cycloaddition of 2-vinyloxybenzaldehyde derivatives." the intramolecular hetero Diels-Alder and 1,3-dipolar, 79 (2014): 1–14.
 
Davood Farmanzadeh, Azim Soltanabadi and Saied Yeganegi. "DFT Study of the Geometrical and Electronic Structures of Geminal Dicationic Ionic Liquids 1,3-Bis[3-methylimidazolium-1-yl]hexane Halides." J. Chin. Chem. Soc., 60 (2013): 551-558.
 
Saeid Yeganegi, Vahid Sokhanvaran. "Ab initio study of hydrogen adsorption on Zn2(NDC)2(diPyTz) metal-organic framework decorated with alkali and alkaline earth metal cations." INT J HYDROGEN ENERG, 39 (2014): 14008e14017.
 
Fatemeh Gholampour, Saeid Yeganegi. "Molecular simulation study on the adsorption and separation of acidic gases in a model nanoporous carbon." CHEM ENG SCI, 117 (2014): 426–435.
 
Abbas Eslami, Nahid Hasani,Saeed Yeganegi. "A Differential Scanning Calorimetry and Theoretical Study on the Isomerization oftrans-[Co(cyclam)(ONO)2X(X=PF6,-ClO3-)." Eur. J. Inorg. Chem, (2014).
 
Seminars-Conferences
S. Yeganegi, A. Maghari. "Sensitivity of Thermal Diffusion to the Nature of Intermolecular Pair Potential." The 5th Conference of Physical Chemistry, Persian Gulf University, Boushehr, Feb. 2002.
 
S. Yeganegi. " On the dependence of Thermal diffusion factor to the temperature."The 6th Iranian Physical Chemistry Seminar, Urmia University, Urmia, Aug. 2002.
 
S .yeganegy, D. ganjim. "Dependence Of Thermal Diffusion Factor and Thermal Conductivity to the Temperature for Isotopes, Noble gases and Sf6-Noble gases systems." 14th Iranian Chemistry & Chemical Engineering Congress, Tarbiat Moallem University, Feb. 2004.
 
S. Yeganegi, M. Anbarfam, A. Rostami. "Comparison of equilibrium and direct non- equilibrium calculations of the thermal diffusion coefficient of a Lennard Jones fluid mixture." 14th Iranian Chemistry & Chemical Engineering Congress, Tarbiat Moallem University, Feb. 2004.
 
S. Yeganegi, M. R. Toosi Jamali. "Sensitivity of thermal diffusion factor and thermal conductivity of diatomic Lennard-Jones mixtures to the anisotropy of intermolecular potential by molecular dynamics simulation." 14th Iranian Chemistry & Chemical Engineering Congress, Tarbiat Moallem University, Feb. 2004.
 
S. Yeganegi, M. R. Toosi. "Dependence of Thermal Diffusion Factor of Binary Mixtures of Diatomic molecules to the Molecular parameters by Non- Equilibrium Molecular Dynamics Simulation." 7th Iranian Physical Chemistry Seminar, Isfahan University of Technology, March, 2005.
 
S. Yeganegi, M. Shadman. "Calculation of Thermal Diffusion Factor of Polar Diatomic Molecules by Direct Non- Equilibrium Molecular Dynamics." 7th Iranian Physical Chemistry Seminar, Isfahan University of Technology, March, 2005.
 
S. Yeganegi, M. Zolfaghari. "Calculation of Thermal Diffusion Factor of Binary Mixtures of Hard Spheres by Non- Equilibrium Molecular Dynamics Simulation." 7th Iranian Physical Chemistry Seminar, Isfahan University of Technology, March, 2005.
 
S. Yeganegi, A. A. Khalili. "Calculation of Thermal Diffusion Factor of Binary Mixtures of Square Well Fluids by Non- Equilibrium Molecular Dynamics Simulation." 8th Iranian Physical Chemistry Seminar, Mashhad University, Dec. 2005.
 
S. Yeganegi, M.D. Ganji. "Density Dependence of Thermal Diffusion Factor: A Calculation by Non-Equilibrium Molecular Dynamics Simulations." 8th Iranian Physical Chemistry Seminar, Mashhad University, Dec. 2005.
 
S. Yeganegi, E. Pak. "Calculation of thermal diffusion factor of binary mixtures of liquids confined in pores media via DNEMD simulation." 8th Iranian Physical Chemistry Seminar, Mashhad University, Dec.  2005.
 
S. Yeganegi, O. Sheikhnegad. "Ab-initio quantum mechanical study of interaction of methane with graphite and single walled carbon nanotubes." 9th Iranian Physical Chemistry Seminar, Guillan University, June. 2006.
 
S. Yeganegi, B. Toor. "On the law of the corresponding states for thermal diffusion factor and thermal conductivity coefficient by molecular dynamics." 9th Iranian Physical Chemistry Seminar, Guillan University, June. 2006.
 
M. Shadman, S. Yeganegi. "Ab initio calculations of potential energy surfaces for CH4–N2." 9th Iranian Physical Chemistry Seminar, Guillan University, June. 2006.
 
F. Kiani, S. Yeganegi, M. Sharifzadeh, H. Arjmandfar, A.A. Rostami. "Study of restricted rotation in some hetero atom three-membered ring compounds, N-nitroso-azirine and –diazirine." 9th Iranian Physical Chemistry Seminar, Guillan University, June. 2006.
 
M. Papari, S. Yeganegi, B. Haghaghi, E. Niami. "Perdiction of low density Kr-H2 and Xe-H2 gas transport coefficients." 9th Iranian Physical Chemistry Seminar, Guillan University, June. 2006.
 
F.S. Hashemi, S. Yeganegi, M. Zamani. "Intermolecular potential for methane in zeolite A." 2nd International symposium, Advanced micro- and mesoporous materials, Varna, Bulgaria, Sept. 2007.
 
M. Shadman, F. Ziaie, S. Yeganegi, S. Lahouti, G.R. Aslani. "Track PVB Based on Irradation with high energy protons." 15th International Conference on Surface Modification of Materials by Ion Beam, Bumbai, India, Oct. 2007.
 
F.S. Hashemi, S. Yeganegi, M. Zamani. "Diffusion of methane in ZSM-5: A molecular dynamic study." 10th Iranian Inorganic chemistry conference, University of Zahedan, May 2008.
 
M. Shadman, F. Ziaei, S. Yeganegi, S. Lahouti. "Morphological study on high energy ion-tracks in PVB and PC." 1st Conference on Apllication of Nanotechnology in Sciences, Engineering and Medicine, Islamic Azad University, Mashhad, Feb. 2008.
 
S. Yeganegi, B. Tahmasbi, M. Shadman. "Transport properties of mixture of CO2 and CH4 in single walled carbon nanotubes." 1st Conference on Apllication of Nanotechnology in Sciences, Engineering and Medicine, Islamic Azad University, Mashhad, Feb. 2008.
 
M. Shadman, F. Ziaei, S. Yeganegi. "Application of nuclear-Track polymer membranes in medicine and biology." 1st Conference on Apllication of Nanotechnology in Sciences, Engineering and Medicine, Islamic Azad University, Mashhad, Feb. 2008.
 
F.S. Hashemi, S. Yeganegi, M. Zemani. "A theoretical study on the interaction of mathane with zeolite." 10th Iranian Physical Chemistry Seminar, Isfahan University, Apr. 2008.
 
A.A. Rostami, S. Yeganegi, M. Khoshroo. "Conductance switching in 4-bromophenyl monolayer on glassy carbon electrode." 10th Iranian Physical Chemistry Seminar, Isfahan University, Apr. 2008.
 
S. Yeganegi, F.S. Hashemi, M. Zamani. "Theoretical study of adsorbtion methane inside zeolite A with MD simulation." 1st Iran international zeolite conferenece (IIZC’08), Amirkabir University of Technology, Apr. 2008.
 
P. Kameli, S. Yeganegi, M. Shadman. "Thermal diffusion factor of mixtures of stockmayer fluids." 11th Iranian Physical Chemistry Seminar, University of Mohaghegh Ardabili, Ardabil, July 2008.
 
N. Darzi, S. Yeganegi, M. Shadman. "Computation of the CO2-C2H2 and CO2-C2H4 Complexes potential energy surface via ab initio method." 11th Iranian Physical Chemistry Seminar, University of Mohaghegh Ardabili, Ardabil, July 2008.
 
S. Yeganegi, B. Tahmasbi. "Transport properties of mixture of N2 and CH4 in single walled carbon nanotubes." 11th Iranian Physical Chemistry Seminar, University of Mohaghegh Ardabili, Ardabil, July 2008.
 
S. Yeganegi, F. S. Hashemi, M. Zamani. "Theoretical study of Diffusion methane inside zeolite A with MD simulation." 11th Iranian Physical Chemistry Seminar, University of Mohaghegh Ardabili, Ardabil, July 2008.
 
S. Yeganegi, M. Shadman. "Second virial coefficient and transport properties of methane+ nitrogen mixture using an ab initio derived potential." 20th International Conference on Chemical Thermodynamics, Warsaw, Poland, Aug. 2008.
 
S. Yeganegi, Gholampour, F. "Adsorption of Ternary Mixtures of Methane, Carbon Dioxide and Hydrogen Sulfide from Biogas through Single-Walled Carbon Nanotubes: Temperature, Pressure and Pore Size Effects." 12th Iranian Physical Chemistry Seminar, Iran, Sanandaj, 2009.
 
V. Sokhanvaran, S. Yeganegi, A. Soltanabadi. "Study properties of imidazolium-based bromide ionic liquids and effect of alkyl chain length by molecular dynamic simulation." 13th Iranian Physical Chemistry Seminar, Iran, Shiraz, 2010.
 
M. Nashtahosseini, S. Yeganegi, M.D. Ganji. "Investigated the possibility of formation of stable complex between C60 fulleren and oxazepam by using Density Functional Theory (DFT) calculations." 14th Iranian Physical chemistry Conference, Iran, kish, 2011.
 
D. Farmanzadeh, S. Yeganegi, A. Soltanabadi. "Geometrical electronic structures of geminialdicationic ionic Liquids." 15th Iranian Chemical Congress, Iran, hamedan, 2011.
 
M. Nashtahosseini, M. Darvish Ganji, S. Yeganegi.  "Interaction of Oxazpam drug and single-wall carbon nanotubes: Atheoretical study." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
A tanabadi, S. Yeganegi, D. Farmanzadeh.  "Study of the glassy temperature of dicationic ionic liquid by molecular dynamic simulation." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
A. Soltanabadi, D. Farmanzadeh, S. Yeganegi.  "Theoretical study of germinal dicationic ionic liquids 1,3-bis[3-methylimidazolium-1-yl] butane halides." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
N. Hassani, A. Eslami, S. Yeganegi.  "Computational investigation of plausible species in linkage isomerization of nitro- and nitrito-pentaamminecobalt(III) complexes." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
Saeid Yeganegi, Nahid Mahmoodzadeh, Mahnaz Nashtahosseini.  "Hydrogen Storage on Boron and Nitrogen doped Silicon Carbid Nanotubes: A first principle study." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
Saeed Yeganegi, Fatemeh Gholampour. "Atomisic Simulation Of Methane adsorption and diffusion in a model nanoporous carbon." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
D. Framanzadeh, Y. Shad, S. Yeganegi. "Surface tension measurement of pure inonic liquid, 1-hexyl-3-methyl imidazolium Bromide [HMIM][Br] in different temperature." 15th Iranian Physical Chemistry Conference, Iran, Tehran, 2012.
 
V. Sokhanvaran, S. Yeganegi. "Adsorption of SO2 on MOF-5 by GCMC Molecular Simulations." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
V. Sokhanvaran, S. Yeganegi. "Computational Study on the Hydrogen Binding on Metal Organic Framework [Zn2(NDC)2(diPyTz)] Decorated with Alkali and Alkaline Earth Metal Cations." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
Fatemeh Gholampour, Saeid Yeganegi. "Methane Adsorption and Diffusion in a Carbon Nanotube Channel." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
F. Gholampour, S. Yeganegi. "Sour Gas Separation using Constricted Carbon Slit Pore Model." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
A.Soltanabad, S. Yeganegia. D. Farmanzadeha. "Hydrogen bonding in Geminal Dicationic Ionic liquid 1,3- bis[3-methylimidazolium-1-yl]butane Halides, Molecular Dynamic Simulation." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
A. Soltanabad, S. Yeganegia. D. Farmanzadeha. "Molecular dynamic simulation of dicationic ionic liquid: Effects of field type on the liquid structure and transport properties." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
A. Eslami, S. Yeganegi, N. Hasani. "Density Functional Study on the Stepwise Linkage Isomerization in Cis-[Co(NH3)4(ONO)2]+ Complex: Insight into the Geometries of the Proposed Model Transition States." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
Z. Doroodi, S. Yeganegi and V. Moeini. "A Molecular Dynamics Study on the Cesium Fluid." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
H. Golchoubian, G. Moayyedi, S. Yeganegi. "A density functional theory (DFT/B3LYP) study of [Cu(L)H2O](ClO4)2 complex." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
S. Yeganegi, SH. Kazemi. " Study of the Adsorption of CH4 and H2 on Pristine and Oxidized Graphene using Monte Carlo Simulation Method." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
 
S.Yeganegi, M. Gholami and V.Sokhanvaran. " Study of Acetylene Adsorption in MOF505 by Grand-Canonical Monte Carlo Simulation." 16th Iranian Physical Chemistry Conference, Iran, Babolsar, 2013.
  1. شيمی عمومی 1
  2. فيزيک عمومی
  3. شیمی فیزیک 1
  4. شیمی فیزیک 2
  5. شیمی فیزیک پیشرفته
  6. آز-شیمی فیزیک 1  
  7. مبانی کامپیوتر و برنامه نویسی
  8. مباحث نوین در شیمی فیزیک
  9. مبانی طیف سنجی مولکولی
  10. سمینار موضوع روز
  11. تمرین و پژوهش
  12. سمینار
  13. کامپیوتر در شیمی
  14. ترموديناميک فرايندهای برگشت ناپذير
  15. سينتيک شيميايي پيشرفته
  16.  ترمودینامیک آماری 1
  17. ترمودینامیک آماری 2
  18. ترموديناميک و مکانيک آماری
  19. مکانیک آماری 2
  20. مبانی شیمی کوانتمی 1
  21. شیمی کوانتمی 2
  22. شیمی کوانتمی 3
Molecular dynamics simulations of Ionic Liquids
GCMC simulation of gas adsorption on nano porous materials such as MOFs, Carbon nao structures
Quantum calculations of intercation between materials in nano confined materials
Design new models and elaboration of adsorption peroperties of carbon nano structures
Sweetining of natural gas using nano porous materila
email: yeganegi@umz.ac.ir