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Exponential Time Differencing Schemes for the peng-robinson equation of state with Preservation of Maximum Bound Principle

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Advances in Applied Mathematics and Mechanics 2022年第2期14卷 494-527页

作者： Qiumei Huang Kun Jiang Jingwei Li College of Mathematics Faculty of ScienceBeijing University of TechnologyBeijing 100124China Beijing Institute for Scientific and Engineering Computing Beijing University of TechnologyBeijing 100124China Laboratory of Mathematics and Complex Systems and School of Mathematical Science Beijing Normal UniversityBeijing 100875China

The peng-Robison equation of state,one of the most extensively applied equations of state in the petroleum industry and chemical engineering,has an excel-lent appearance in predicting the thermodynamic properties of a wide variety of *** has been a great challenge on how to design numerical schemes with preser-vation of mass conservation and energy dissipation *** on the exponential time difference combined with the stabilizing technique and added Lagrange multi-plier enforcing the mass conservation,we develop the efﬁcientﬁrst-and second-order numerical schemes with preservation of maximum bound principle(MBP)to solve the single-component two-phase diffuse interface model with peng-Robison equation of *** analyses as well as energy stability are also *** two-dimensional and three-dimensional experiments are performed to verify these theo-retical results.

关键词： peng-robinson equation of state diffuse interface model maximum bound principle exponential time differencing Lagrange multiplier

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SAV Finite Element Method for the peng-robinson equation of state with Dynamic Boundary Conditions

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Advances in Applied Mathematics and Mechanics 2023年第1期15卷 139-158页

作者： Changhui Yao Zhaoyue Du Lei Yang School of Mathematics and Statistics Zhengzhou UniversityZhengzhouHenan 450001China Faculty of Information Technology Macao University of Science and TechnologyMacao

In this paper,the peng-robinson equation of state with dynamic boundary conditions is discussed,which considers the interactions with solid *** first,the model is introduced and the regularization method on the nonlinear term is ***,The scalar auxiliary variable(SAV)method in temporal and finite element method in spatial are used to handle the peng-robinson equation of ***,the energy dissipation law of the numerical method is ***,we acquire the convergence of the discrete SAV finite element method(FEM).Finally,a numerical example is provided to confirm the theoretical result.

关键词： peng-robinson equation of state dynamic boundary conditions scalar auxiliary variable finite element method error estimates

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Solubility of CO2 in Methanol, 1-Octyl-3-methylimidazolium Bis（trifluoromethylsulfonyl）imide, and Their Mixtures

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Chinese Journal of Chemical Engineering 2013年第3期21卷 310-317页

作者：雷志刚张本凤朱吉钦宫万福吕建宁李延生 state Key Laboratory of Chemical Resource Engineering Beijing University of Chemical Technology Beijing100029 China Wison Engineering Ltd. 1399 Zhangheng Road Shanghai 201203 China

Solubility data of carbon dioxide （CO2）（1） in methanol （2）, 1-octyl-3-methylimidazolium bis（trifluoro- methylsulfonyl）imide （[omim]＋[TfzN]-）（3）, and their mixtures （w3 = 0.2, 0.5, and 0.8） at temperatures 313.2 and 333.2 K and pressures up to 7.0 MPa were measured by a high-pressure view-cell technique. The solubility of CO2 in methanol （w3 = 0）, [omim]＋[Tf2N]- （w3 = 1.0） and their mixtures follows the order of （w3 = 0）〈（w3 = 0.2）〈（w3 = 0.5）〈（w3 = 0.8）〈（w3 = 1.0） at the same temperature and pressure, while the magnitude of Henry＇s constants follows the reverse order at a given temperature, which is consistent with the COSMO-RS （conductor-like screen- ing for real solvents） calculation. The solubility data of CO2 in methanol and [omim]~[Tf2N]- are correlated with the peng-robinson equation of state, and the solubility of CO2 in the mixtures of methanol and [omim]＋[TfzN] can be well predicted based on the mole fraction average of methanol and [omim]＋[Tf2N] over the solubility of CO2 in pure methanol and [omim]＋[Tf2N] . The mixtures of methanol and [omim]＋[Tf2N]- may be used as physical solvents for capturing CO2 with high partial pressures since they combine the advantages of organic solvents and ionic liquids.

关键词： CO2 solubility methanol ionic liquids peng-robinson equation of state

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An efficient multigrid-DEIM semi-reduced-order model for simulation of single-phase compressible flow in porous media

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Petroleum Science 2021年第3期18卷 923-938页

作者： Jing-Fa Li Bo Yu Dao-Bing Wang Shu-Yu Sun Dong-Liang Sun School of Mechanical Engineering Beijing Key Laboratory of Pipeline Critical Technology and Equipment for Deepwater Oil and Gas DevelopmentBeijing Institute of Petrochemical TechnologyBeijing 102617China Division of Physical Science and Engineering King Abdullah University of Science and TechnologyThuwal 23955-6900Saudi Arabia

In this paper,an efcient multigrid-DEIM semi-reduced-order model is developed to accelerate the simulation of unsteady single-phase compressible fow in porous *** cornerstone of the proposed model is that the full approximate storage multigrid method is used to accelerate the solution of fow equation in original full-order space,and the discrete empirical interpolation method(DEIM)is applied to speed up the solution of peng-robinson equation of state in reduced-order *** multigrid-DEIM semi-reduced-order model combines the computation both in full-order space and in reducedorder subspace,which not only preserves good prediction accuracy of full-order model,but also gains dramatic computational acceleration by multigrid and *** performances including accuracy and acceleration of the proposed model are carefully evaluated by comparing with that of the standard semi-implicit *** addition,the selection of interpolation points for constructing the low-dimensional subspace for solving the peng-robinson equation of state is demonstrated and carried out in *** results indicate that the multigrid-DEIM semi-reduced-order model can speed up the simulation substantially at the same time preserve good computational accuracy with negligible *** general acceleration is up to 50-60 times faster than that of standard semi-implicit method in two-dimensional simulations,but the average relative errors of numerical results between these two methods only have the order of magnitude 10^(−4)-10^(−6)%.

关键词： Compressible fow Porous media Multigrid method Discrete empirical interpolation method peng-robinson equation of state

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Hybrid Particle Swarm-Ant Colony Algorithm to Describe the Phase Equilibrium of Systems Containing Supercritical Fluids with Ionic Liquids

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Communications in Computational Physics 2013年第6期14卷 107-125页

作者： Juan A.Lazzus Departamento de Fisica Universidad de La SerenaCasilla 554La SerenaChile

Based on biologically inspired algorithms,a thermodynamic model to describe the vapor-liquid equilibrium of binary complex mixtures containing supercritical fluids and ionic liquids,is *** peng-robinson equation of state with the Wong-Sandler mixing rules are used to evaluate the fugacity coefficient on the ***,a hybrid particle swarm-ant colony optimization was used to minimize the difference between calculated and experimental bubble pressure,and calculate the binary interaction parameters for the excess Gibbs free energy of all systems *** are carried out in nine systems with imidazolium-based ionic *** results show that the bubble pressures were correlated with low deviations between experimental and calculated *** deviations show that the proposed hybrid algorithm is the preferable method to describe the phase equilibrium of these complex mixtures,and can be used for other similar systems.

关键词： Particle swarm optimization ant colony optimization vapor-liquid equilibrium ionic liquids supercritical fluids peng-robinson equation of state

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