Application of equations of state to predict methane solubility under hydrate-liquid water two-phase equilibrium

2016 ◽  
Vol 427 ◽  
pp. 35-45 ◽  
Author(s):  
Ting Huang ◽  
Changjun Li ◽  
Wenlong Jia ◽  
Yang Peng
Minerals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 393
Author(s):  
Mengyao Di ◽  
Rui Sun ◽  
Lantao Geng ◽  
Wanjun Lu

Understanding of CO2 hydrate–liquid water two-phase equilibrium is very important for CO2 storage in deep sea and in submarine sediments. This study proposed an accurate thermodynamic model to calculate CO2 solubility in pure water and in seawater at hydrate–liquid water equilibrium (HLWE). The van der Waals–Platteeuw model coupling with angle-dependent ab initio intermolecular potentials was used to calculate the chemical potential of hydrate phase. Two methods were used to describe the aqueous phase. One is using the Pitzer model to calculate the activity of water and using the Poynting correction to calculate the fugacity of CO2 dissolved in water. Another is using the Lennard–Jones-referenced Statistical Associating Fluid Theory (SAFT-LJ) equation of state (EOS) to calculate the activity of water and the fugacity of dissolved CO2. There are no parameters evaluated from experimental data of HLWE in this model. Comparison with experimental data indicates that this model can calculate CO2 solubility in pure water and in seawater at HLWE with high accuracy. This model predicts that CO2 solubility at HLWE increases with the increasing temperature, which agrees well with available experimental data. In regards to the pressure and salinity dependences of CO2 solubility at HLWE, there are some discrepancies among experimental data. This model predicts that CO2 solubility at HLWE decreases with the increasing pressure and salinity, which is consistent with most of experimental data sets. Compared to previous models, this model covers a wider range of pressure (up to 1000 bar) and is generally more accurate in CO2 solubility in aqueous solutions and in composition of hydrate phase. A computer program for the calculation of CO2 solubility in pure water and in seawater at hydrate–liquid water equilibrium can be obtained from the corresponding author via email.


2019 ◽  
Vol 53 (5) ◽  
pp. 1763-1795 ◽  
Author(s):  
Khaled Saleh

This article is the first of two in which we develop a relaxation finite volume scheme for the convective part of the multiphase flow models introduced in the series of papers (Hérard, C.R. Math. 354 (2016) 954–959; Hérard, Math. Comput. Modell. 45 (2007) 732–755; Boukili and Hérard, ESAIM: M2AN 53 (2019) 1031–1059). In the present article we focus on barotropic flows where in each phase the pressure is a given function of the density. The case of general equations of state will be the purpose of the second article. We show how it is possible to extend the relaxation scheme designed in Coquel et al. (ESAIM: M2AN 48 (2013) 165–206) for the barotropic Baer–Nunziato two phase flow model to the multiphase flow model with N – where N is arbitrarily large – phases. The obtained scheme inherits the main properties of the relaxation scheme designed for the Baer–Nunziato two phase flow model. It applies to general barotropic equations of state. It is able to cope with arbitrarily small values of the statistical phase fractions. The approximated phase fractions and phase densities are proven to remain positive and a fully discrete energy inequality is also proven under a classical CFL condition. For N = 3, the relaxation scheme is compared with Rusanov’s scheme, which is the only numerical scheme presently available for the three phase flow model (see Boukili and Hérard, ESAIM: M2AN 53 (2019) 1031–1059). For the same level of refinement, the relaxation scheme is shown to be much more accurate than Rusanov’s scheme, and for a given level of approximation error, the relaxation scheme is shown to perform much better in terms of computational cost than Rusanov’s scheme. Moreover, contrary to Rusanov’s scheme which develops strong oscillations when approximating vanishing phase solutions, the numerical results show that the relaxation scheme remains stable in such regimes.


2016 ◽  
Vol 873 ◽  
pp. 18-22
Author(s):  
Ming Li Huang ◽  
Xue Shen ◽  
Hong Xiao Li

The equilibrium alloys closed to Mg-Nd side in the Mg-rich corner of the Mg-Zn-Nd system at 400°C have been investigated by scanning electron microscopy, electron probe microanalysis and X-ray diffraction. The binary solid solutions Mg12Nd and Mg3Nd with the solubility of Zn have been identified. The maximum solubility of Zn in Mg12Nd is 4.8at%, and Mg12Nd phase can be in equilibrium with Mg solid solution. However, only when the solubility range of Zn in 26at%~32.2at%, Mg3Nd can be in two-phase equilibrium with Mg solid solution. As the results, two two-phase regions as Mg+Mg12Nd and Mg+Mg3Nd and a three-phase region as Mg+Mg12Nd+Mg3Nd in Mg-Nd-Zn ternary isothermal section at 400°C have been identified.


2017 ◽  
Vol 28 (09) ◽  
pp. 1750120 ◽  
Author(s):  
Yong Peng ◽  
Yun Fei Mao ◽  
Bo Wang ◽  
Bo Xie

Equations of State (EOS) is crucial in simulating multiphase flows by the pseudo-potential lattice Boltzmann method (LBM). In the present study, the Peng and Robinson (P–R) and Carnahan and Starling (C–S) EOS in the pseudo-potential LBM with Exact Difference Method (EDM) scheme for two-phase flows have been compared. Both of P–R and C–S EOS have been used to study the two-phase separation, surface tension, the maximum two-phase density ratio and spurious currents. The study shows that both of P–R and C–S EOS agree with the analytical solutions although P–R EOS may perform better. The prediction of liquid phase by P–R EOS is more accurate than that of air phase and the contrary is true for C–S EOS. Predictions by both of EOS conform with the Laplace’s law. Besides, adjustment of surface tension is achieved by adjusting [Formula: see text]. The P–R EOS can achieve larger maximum density ratio than C–S EOS under the same [Formula: see text]. Besides, no matter the C–S EOS or the P–R EOS, if [Formula: see text] tends to 0.5, the computation is prone to numerical instability. The maximum spurious current for P–R is larger than that of C–S. The multiple-relaxation-time LBM still can improve obviously the numerical stability and can achieve larger maximum density ratio.


The liquid-vapour equilibrium of the system methane-ethylene has been determined at 0, -42 , -78, -88 and -104° C over a wide range of pressures and the results are shown on a pressure-composition-temperature diagram and by a series of pressure-composition curves. The liquid-vapour equilibrium of the ternary system methane-ethane-ethylene has been determined at -104, -78 and 0° C. Values for the two binary systems methane-ethane and methane-ethylene and for the ternary system methane-ethane-ethylene are shown on a composite pressure-composition diagram.


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