Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7

Equation of state Related Publications

7 Correlation and Prediction of Biodiesel Density

Authors: Nieves M. C. Talavera-Prieto, Abel G. M. Ferreira, António T. G. Portugal, Rui J. Moreira, Jaime B. Santos

Abstract:

The knowledge of biodiesel density over large ranges of temperature and pressure is important for predicting the behavior of fuel injection and combustion systems in diesel engines, and for the optimization of such systems. In this study, cottonseed oil was transesterified into biodiesel and its density was measured at temperatures between 288 K and 358 K and pressures between 0.1 MPa and 30 MPa, with expanded uncertainty estimated as ±1.6 kg⋅m- 3. Experimental pressure-volume-temperature (pVT) cottonseed data was used along with literature data relative to other 18 biodiesels, in order to build a database used to test the correlation of density with temperarure and pressure using the Goharshadi–Morsali–Abbaspour equation of state (GMA EoS). To our knowledge, this is the first that density measurements are presented for cottonseed biodiesel under such high pressures, and the GMA EoS used to model biodiesel density. The new tested EoS allowed correlations within 0.2 kg·m-3 corresponding to average relative deviations within 0.02%. The built database was used to develop and test a new full predictive model derived from the observed linear relation between density and degree of unsaturation (DU), which depended from biodiesel FAMEs profile. The average density deviation of this method was only about 3 kg.m-3 within the temperature and pressure limits of application. These results represent appreciable improvements in the context of density prediction at high pressure when compared with other equations of state.

Keywords: correlation, Biodiesel, Density, Equation of state, prediction

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6 Modification of Rk Equation of State for Liquid and Vapor of Ammonia by Genetic Algorithm

Authors: S. Mousavian, F. Mousavian, V. Nikkhah Rashidabad

Abstract:

Cubic equations of state like Redlich–Kwong (RK)  EOS have been proved to be very reliable tools in the prediction of  phase behavior. Despite their good performance in compositional  calculations, they usually suffer from weaknesses in the predictions  of saturated liquid density. In this research, RK equation was  modified. The result of this study show that modified equation has  good agreement with experimental data.

 

Keywords: Modification, Genetic Algorithm, Equation of state, Ammonia

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5 Tuning Cubic Equations of State for Supercritical Water Applications

Authors: Shyh-Ming Chern

Abstract:

Cubic equations of state (EoS), popular due to their simple mathematical form, ease of use, semi-theoretical nature and reasonable accuracy, are normally fitted to vapor-liquid equilibrium P-v-T data. As a result, they often show poor accuracy in the region near and above the critical point. In this study, the performance of the renowned Peng-Robinson (PR) and Patel-Teja (PT) EoS’s around the critical area has been examined against the P-v-T data of water. Both of them display large deviations at critical point. For instance, PR-EoS exhibits discrepancies as high as 47% for the specific volume, 28% for the enthalpy departure and 43% for the entropy departure at critical point. It is shown that incorporating P-v-T data of the supercritical region into the retuning of a cubic EoS can improve its performance at and above the critical point dramatically. Adopting a retuned acentric factor of 0.5491 instead of its genuine value of 0.344 for water in PR-EoS and a new F of 0.8854 instead of its original value of 0.6898 for water in PT-EoS reduces the discrepancies to about one third or less.

Keywords: Equation of state, EoS, supercritical water, SCW

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4 Nonlinear Effects in Bubbly Liquid with Shock Waves

Authors: Raisa Kh. Bolotnova, Marat N. Galimzianov, Andrey S. Topolnikov, Valeria A. Buzina, Uliana O. Agisheva

Abstract:

The paper presents the results of theoretical and numerical modeling of propagation of shock waves in bubbly liquids related to nonlinear effects (realistic equation of state, chemical reactions, two-dimensional effects). On the basis on the Rankine- Hugoniot equations the problem of determination of parameters of passing and reflected shock waves in gas-liquid medium for isothermal, adiabatic and shock compression of the gas component is solved by using the wide-range equation of state of water in the analitic form. The phenomenon of shock wave intensification is investigated in the channel of variable cross section for the propagation of a shock wave in the liquid filled with bubbles containing chemically active gases. The results of modeling of the wave impulse impact on the solid wall covered with bubble layer are presented.

Keywords: cavitation, Equation of state, bubbly liquid, shock wave

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3 Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) Parameters for Propane, Ethylene, and Hydrogen under Supercritical Conditions

Authors: Ilke Senol

Abstract:

Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) equation of state (EOS) is a modified SAFT EOS with three pure component specific parameters: segment number (m), diameter (σ) and energy (ε). These PC-SAFT parameters need to be determined for each component under the conditions of interest by fitting experimental data, such as vapor pressure, density or heat capacity. PC-SAFT parameters for propane, ethylene and hydrogen in supercritical region were successfully estimated by fitting experimental density data available in literature. The regressed PCSAFT parameters were compared with the literature values by means of estimating pure component density and calculating average absolute deviation between the estimated and experimental density values. PC-SAFT parameters available in literature especially for ethylene and hydrogen estimated density in supercritical region reasonably well. However, the regressed PC-SAFT parameters performed better in supercritical region than the PC-SAFT parameters from literature.

Keywords: Equation of state, perturbed-chain, PC-SAFT, super critical

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2 Prediction of Henry's Constant in Polymer Solutions using the Peng-Robinson Equation of State

Authors: Somayeh Tourani, Alireza Behvandi

Abstract:

The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.

Keywords: Equation of state, Henry's constant, Peng-Robinson, polymer solution

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1 Group Contribution Parameters for Nonrandom Lattice Fluid Equation of State involving COSMO-RS

Authors: Alexander Breitholz, Wolfgang Arlt, Ki-Pung Yoo

Abstract:

Group contribution based models are widely used in industrial applications for its convenience and flexibility. Although a number of group contribution models have been proposed, there were certain limitations inherent to those models. Models based on group contribution excess Gibbs free energy are limited to low pressures and models based on equation of state (EOS) cannot properly describe highly nonideal mixtures including acids without introducing additional modification such as chemical theory. In the present study new a new approach derived from quantum chemistry have been used to calculate necessary EOS group interaction parameters. The COSMO-RS method, based on quantum mechanics, provides a reliable tool for fluid phase thermodynamics. Benefits of the group contribution EOS are the consistent extension to hydrogen-bonded mixtures and the capability to predict polymer-solvent equilibria up to high pressures. The authors are confident that with a sufficient parameter matrix the performance of the lattice EOS can be improved significantly.

Keywords: Equation of state, COSMO-RS, phase equilibria, Group contribution, Lattice Fluid

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