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Mohammad Mehdi Papari,Masoumeh Kiani,Jalil Moghadasi 한국공업화학회 2011 Journal of Industrial and Engineering Chemistry Vol.17 No.4
The present work evaluates the performance of a molecular-based equation of state in predicting thermodynamic properties of several fluids in a very wide range of temperatures encompassing 100 K < T < 1100 K and pressures ranging from zero to 3200 bar. The theoretical equation of state (EOS)is that of Tao–Mason (TM) which is based on statistical mechanical perturbation theory. The 21 fluids including: argon (Ar), krypton (Kr), xenon (Xe), nitrogen (N_2), oxygen (O_2), carbon dioxide (CO_2),methane (CH_4), ethane (C_2H_6), propane (C_3H_8), normal butane (n-C_4H_(10)), isobutene (i-C_4H_(10)), ethene (C_2H_4), benzene (C_6H_6), toluene (C_7H_8) as well as refrigerants consisting of 1,1,1,2 tetra fluoroethane (R134a), tetrafluoromethane (R14), chlorodifluromethane (R22), 1,1,1-trifluoroethane (R143a), 1,1,1-trifluoro,2,2-dichloroethane (R123), octafluoropropane (R218), and 1,1-difluoroethane (R152a) are selected and compared with literature data. The calculations cover the ranges from the dilute vapor or gas to the highly compressed liquid and supercritical regions. The thermodynamic properties are the vapor and liquid densities, the vapor pressure, the internal energy, the enthalpy, the entropy, the heat capacity at constant pressure and constant volume, and the speed of sound. It was found that the overall agreement with literature in all phases especially the vapor/gas phase is remarkable. Furthermore, the Zeno line regularity can be well represented by the TM EOS. Finally, the TM EOS is further assessed through comparing with the Ihm–Song–Mason (ISM) equation of state. In general, the TM EOS outperforms the ISM equation of state.
Mohammad Mehdi Papari,Sayed Mostafa Hosseini,Fatemeh Fadaei-Nobandegani,Jalil Moghadasi 한국화학공학회 2012 Korean Journal of Chemical Engineering Vol.29 No.11
Ihm-Song-Mason (ISM) equation of state (EOS) has been previously employed for modeling the volumetric properties of ionic liquids (ILs). The novelty of the present work is in replacing the macroscopic scaling constants with microscopic ones. Three temperature-dependent parameters that appeared in the EOS, which are universal functions of the reduced temperature, were determined using these new microscopic scaling constants. These parameters are the effective hard-sphere diameter (σ) and the non-bonded interaction energy between two spheres (ε). The present EOS is evaluated by examination of 3997 experimental density data points for five classes of ILs. The average absolute deviation (AAD) of the calculated densities from literature values was found to be of the order of 0.38%. Our calculations involved a broad range of temperature from 293 K to 472 K and pressures from 0.1MPa up to 200MPa. Another aspect of the present study is the extension of the proposed EOS to predict density of binary mixtures involving IL+ water and IL+ IL. In the case of binary mixtures, 898 data points were taken to assess the capability of the EOS. The overall AAD of the calculated mixture densities from the literature ones was within 0.43%.
Application of modified Tao-Mason equation of state to refrigerant mixtures
Masoumeh Kiani,Mohammad Mehdi Papari,Zahra Nowruzian,Jalil Moghadasi 한국화학공학회 2015 Korean Journal of Chemical Engineering Vol.32 No.7
In our previous work, we modified the Tao-Mason EOS [1] to predict the volumetric properties of pure refrigerants [2]. In the present study, we have successfully extended the modified Tao-Mason EOS to refrigerant mixtures. The second virial coefficient, B2(T), and the temperature-dependent correction factor α(T) and van der Waals co-volume b(T) were calculated from a two-parameter corresponding-states correlation along with the enthalpy of vaporization and the molar density, both at the normal boiling point. Then the cross parameters B12(T), α12(T), and b12(T), were determined with the help of simple combining rules. The constructed Tao-Mason EOS was employed to predict the densities and vapor pressures of several HFC, hydrocarbons and HFO mixtures. The calculated results were compared with literature data. The overall agreement between our results and literature values is remarkable.
BEHZAD HAGHIGHI,FATEMEH HEIDARI,BEHNOUD HAGHIGHI,MOHAMMAD MEHDI PAPARI,BEHRAD HAGHIGHI 대한설비공학회 2011 International Journal Of Air-Conditioning and Refr Vol.19 No.1
The robust and efficient procedure is presented to calculate the transport properties, especially thermal conductivity coefficients, for gaseous state of difluoromethane (R32), pentafluoroethane (R125), 1, 1, 1, 2 tetrafluoroethane (R134a), 1, 1, 1 trifluoroethane (R143a) and 1, 1 difluoroethane (R152a) at zero density. The McLinden et al.'s^1 approach of the extended corresponding states has been used for calculating the contribution of molecular degree of freedom to the thermal conductivity of these refrigerants. The Lennard–Jones 12-6 (LJ 12-6) potential energy function is used as the initial model potential required by the technique. The interaction potential energies from the inversion procedure reproduce the thermal conductivity coefficients commensurate to the best measurements.