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Prediction of Volumetric Properties(p-v-T)of Natural Gas Mixtures Using Extended Tao-Mason Equation of State

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Chinese Journal of Chemical Engineering 2011年第3期19卷 496-503页

作者： Hajir Karimi Fakhri Yousefi mohammad mehdi papari Department of Chemical Engineering Yasouj University Department of Chemistry Yasouj University Department of Chemistry Shiraz University of Technology

A statistical-mechanical-based equation of state(EOS)for pure substances,the Tao-Mason equation of state,is successfully extended to prediction of the(p-v-T)properties of fourteen natural gas mixtures at temperatures from 225 K to 483 K and pressures up to 60.5 *** work shows that the Tao-Mason equation of state for multicomponent natural gas is predictable with minimal input information,namely critical temperature,critical pressure,and the Pitzer acentric *** calculated results agree well with the experimental *** a total of 963 data of density and 330 data of compressibility factor for natural gases examined in this work,the average absolute deviations(AAD)are 1.704%and 1.344%,*** present EOS is further assessed through the comparisons with Peng-Robinson(PR)equation of *** the all of mixtures Tao-Mason(TM)EOS outperforms the PR EOS.

关键词： equation of state natural gas mixture density compressibility factor

Extension of Tao-Mason Equation of State to Heavy n-Alkanes

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Chinese Journal of Chemical Engineering 2013年第8期21卷 894-900页

作者： Fakhri Yousefi Hajir Karimi mohammad mehdi papari Department of Chemistry Yasouj University Department of Chemical Engineering Yasouj University Department of Chemistry Shiraz University of Technology

In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT properties of heavy n-alkanes. Liquid density of long-chain n-alkane systems from C 9 to C 20 have been calculated using an analytical equation of state based on the statistical-mechanical perturbation theory. The second virial coefficients of these n-alkanes are scarce and there is no accurate potential energy function for their theoretical calculation. In this work the second virial coefficients are calculated using a corresponding state correlation based on surface tension and liquid density at the freezing point. The deviation of calculated densities of these alkanes is within 0.5% from experimental data. The densities of n-alkanes obtained from the TM EOS are compared with those calculated from Ihm-Song-Mason equation of state and the corresponding-states liquid densities (COSTALD). Our results are in favor of the preference of the TM EOS over other two equations of state.

关键词： heavy n-alkanes density Tao-Mason equation of state Ihm-Song-Mason equation of state

Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide through Isotropic Pair Potential Energies

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Chinese Journal of Chemical Engineering 2014年第3期22卷 274-286页

作者： Delara mohammad-Aghaie mohammad mehdi papari Amjad Reza Ebrahimi Department of Chemistry Shiraz University of Technology

The present work is concerned with extracting information about intermolecular potential energies of binary mixtures of CO2 with C2H6, C3H8, n-C4Hlo and iso-C4Hlo, by the usage of the inversion method, and then predicting the dilute gas transport properties of the mixtures. Using the inverted pair potential energies, the Chap- man-Enskog version of the kinetic theory was applied to calculate transport properties, except thermal conductivity of mixtures. The calculation of thermal conductivity through the methods of Schreiber et al. and Uribe et al. was discussed. Calculations were performed over a wide temperature range and equimolar composition. Rather accurate correlations for the viscosity coefficients of the mixtures in the temperature range were reproduced from the pre- sent unlike intermolecular potential energies. Our estimated accuracies for the viscosity are within ±2%. Acceptable agreement between the predicted values of the viscosity and thermal conductivity with the literature values demon- strates the predictive power of the inversion scheme. In the case of thermal conductivity our results are in favor of the preference of Uribe et al.＇s method over Schreiber et al.＇s scheme.

关键词： intermolecular potential transport properties carbon dioxide inversion scheme

Determination of Transport Properties for Dilute Gas Mixtures Involving Carbon Tetrafluoride

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Chinese Journal of Chemical Engineering 2010年第2期18卷 297-305页

作者： mohammad mehdi papari Jalil Moghadasi Soodabeh Nikmanesh Mahmood RezaDehghan Department of Chemistry Shiraz University of Technology Shiraz 71555-313 Iran Department of Chemistry Shiraz University Shiraz 71454 Iran

In our previous work,we calculated transport properties of pure gaseous polyatomic carbon tetrafluoride(CF4) and five equimolar binary gas mixtures of CF4 with noble gases through inversion *** present work is a continuation of our studies on determining the transport properties of binary gas mixtures CF4 with some gases including three diatomic molecules CO,N2,and O2,a linear polyatomic CO2,and two non-linear polyatomic molecules SF6 and *** Chapman-Enskog and Vesovic-Wakeham methods as well as inversion procedure are used to determine the viscosities,diffusivities,and thermal conductivities,which deviates from the literature values within 1%,4%,and 5%,respectively.

关键词： principle of corresponding states inversion method kinetic theory of gases diffusivity thermal conductivity viscosity transport properties

Mathematical modeling of a slurry reactor for DME direct synthesis from syngas

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Journal of Natural Gas Chemistry 2012年第2期21卷 148-157页

作者： Sadegh papari mohammad Kazemeini Moslem Fattahi Department of Chemical and Petroleum Engineering Sharif University of Technology

In this paper,an axial dispersion mathematical model is developed to simulate a three-phase slurry bubble column reactor for direct synthesis of dimethyl ether（DME） from *** large-scale reactor is modeled using mass and energy balances,catalyst sedimentation andsingle-bubble as well as two-bubbles class flow hydrodynamics.A comparison between the two hydrodynamic models through pilot plantexperimental data from the literature shows that heterogeneous two-bubbles flow model is in better agreement with the experimental data thanhomogeneous single-bubble gas flow ***,by investigating the heterogeneous gas flow and axial dispersion model for small bubblesas well as the large bubbles and slurry（*** paraffins and the catalyst） phase,the temperature profile along the reactor is *** between isothermal and non-isothermal reactors reveals no obvious performance difference between *** optimum values ofreactor diameter and height were obtained at 7 m and 50 m,*** effects of operating variables on the axial catalyst distribution,DME productivity and CO conversion are also investigated in this research.

关键词： modeling large-scale slurry bubble column optimization dimethyl ether synthesis single-bubble class two-bubbles class isotherm andnon-isotherm

Modelling-based Optimisation of the Direct Synthesis of Dimethyl Ether from Syngas in a Commercial Slurry Reactor

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Chinese Journal of Chemical Engineering 2013年第6期21卷 611-621页

作者： Sadegh papari mohammad Kazemeini Moslem Fattahi Department of Chemical and Petroleum Engineering Sharif University of Technology Azadi Avenue 11365-9465Tehran Iran

In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether （DME） from syngas and CO2, operating in a churn-turbulent regime. DME productivity and CO conversion were optimised by tuning operating conditions, such as superficial gas velocity, catalyst concentration, catalyst mass over molar gas flow rate （W/F）, syngas composition, pressure and temperature. Reactor modelling was accomplished utilising mass balance, global kinetic models and heterogeneous hydrodynamics. In the heterogeneous flow regime, gas was distributed into two bubble phases： small and large. Simulation results were validated using data obtained from a pilot plant. The developed model is also applicable for the design of large-scale slurry reactors.

关键词： modelling slurry bubble column optimisation dimethyl ether synthesis two-bubble phases