Peng-Robinson equation of state: 40 years through cubics

Lopez-Echeverry, Juan Sebastian; Reif-Acherman, Simón; Araujo-López, Eduard

doi:10.1016/j.fluid.2017.05.007

Cited by 298 publications

(137 citation statements)

References 432 publications

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“…Thus, we can define the repulsion chemical potential at the (n + 1)-th time step as 20) which is a linear function of c n+1 . We note that the convex splitting approach for the repulsion term f repulsion b (c) [28] results in a nonlinear scheme as well as the ideal term.…”

Section: )mentioning

confidence: 99%

“…Introduction. The Peng-Robinson equation of state (PR-EoS) [26] has become one of the most popular and useful tools for describing the thermodynamic properties of fluids in both academic and industrial fields, especially chemical engineering and petroleum industry [20]. Compared to the well-known Van der Waals equation of state, PR-EoS can provide more reasonable accuracy in predicting the properties of a wide variety of materials, such as N 2 , CO 2 and hydrocarbons.…”

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confidence: 99%

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A Novel Energy Factorization Approach for the Diffuse-Interface Model with Peng--Robinson Equation of State

Kou¹,

Sun²,

Wang³

2020

SIAM J. Sci. Comput.

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The Peng-Robinson equation of state (PR-EoS) has become one of the most extensively applied equations of state in chemical engineering and petroleum industry due to its excellent accuracy in predicting the thermodynamic properties of a wide variety of materials, especially hydrocarbons. Although great efforts have been made to construct efficient numerical methods for the diffuse interface models with PR-EoS, there is still not a linear numerical scheme that can be proved to preserve the original energy dissipation law. In order to pursue such a numerical scheme, we propose a novel energy factorization (EF) approach, which first factorizes an energy function into a product of several factors and then treats the factors using their properties to obtain the semiimplicit linear schemes. We apply the EF approach to deal with the Helmholtz free energy density determined by PR-EoS, and then propose a linear semi-implicit numerical scheme that inherits the original energy dissipation law. Moreover, the proposed scheme is proved to satisfy the maximum principle in both the time semi-discrete form and the cell-centered finite difference fully discrete form under certain conditions. Numerical results are presented to demonstrate the stability and efficiency of the proposed scheme.

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Section: )mentioning

confidence: 99%

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confidence: 99%

A Novel Energy Factorization Approach for the Diffuse-Interface Model with Peng--Robinson Equation of State

Kou¹,

Sun²,

Wang³

2020

SIAM J. Sci. Comput.

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“…Fluid packages are based on the Peng-Robinson model [30] in combination with the Lee-Kesler Equation of State as a standard package in Petro-SIM.…”

Section: Step 2: Build and Simulate Different Heat Pumpsmentioning

confidence: 99%

Critical Analysis of Process Integration Options for Joule-Cycle and Conventional Heat Pumps

et al. 2020

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To date, research on heat pumps (HP) has mainly focused on vapour compression heat pumps (VCHP), transcritical heat pumps (TCHP), absorption heat pumps, and their heat integration with processes. Few studies have considered the Joule cycle heat pump (JCHP), which raises several questions. What are the characteristics and specifics of these different heat pumps? How are they different when they integrate with the processes? For different processes, which heat pump is more appropriate? To address these questions, the performance and integration of different types of heat pumps with various processes have been studied through Pinch Methodology. The results show that different heat pumps have their own optimal application range. The new JCHP is suitable for processes in which the temperature changes of source and sink are both massive. The VCHP is more suitable for the source and sink temperatures, which are near-constant. The TCHP is more suitable for sources with small temperature changes and sinks with large temperature changes. This study develops an approach that provides guidance for the selection of heat pumps by applying Process Integration to various combinations of heat pump types and processes. It is shown that the correct choice of heat pump type for each application is of utmost importance, as the Coefficient of Performance can be improved by up to an order of magnitude. By recovering and upgrading process waste heat, heat pumps can save 15–78% of the hot utility depending on the specific process.

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“…Classic cubic Equations of State (EoS) such as Soave-Redlich-Kwong (SRK) [7] and Peng-Robinson (PR) [8] have been used for decades in the chemical industry due to their reliability and simple mathematical form, characteristics that make them easy to implement and to modify [9,10]. In addition, the method to obtain their pure component parameters is universal, requiring only inputs of the experimental critical temperature ( T c ), critical pressure ( P c ) and acentric factor ( ) [11].…”

Section: Introductionmentioning

confidence: 99%

“…For the case of mixtures, the binary interaction parameter can also be estimated from group-contribution methods [13,14]. The disadvantages of the cubic equations are, however, well known, especially when modeling complex mixtures [9], and although PR is in general accepted as an improvement over SRK, several modifications have been made to the equation to enhance its performance [10]. A first approach to achieve this is to modify the temperature-dependent alpha function in the attractive term to obtain better predictions of saturated pressures, since it is expected that by doing this, the properties of mixtures are consequently improved.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of the Peng–Robinson and the Cubic-Plus-Association Equations of State in Modeling VLE of Carboxylic Acids with Water

Román‐Ramírez

Leeke

2020

Int J Thermophys

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The performance of the classic Peng-Robinson (PR) and the modern Cubic-Plus-Association (CPA) equations of state were evaluated in modeling isobaric and isothermal vapor-liquid equilibria (VLE) of binary mixtures of carboxylic acids (formic, acetic, propanoic or butanoic) + water. Two functionalities of the alpha term were tested in PR, the original term proposed by Soave and the Matthias-Copeman term specially developed for modeling polar compounds. Within the Soave functionality, two generalized forms of the acentric factor were studied, the original general form and the Robinson and Peng modification for values of the acentric factor larger than 0.491. In addition, the case of PR with fitted parameters from saturated properties (as commonly obtained for modern equations of state) was also evaluated. VLE calculations without the use of a binary interaction parameter are in general more accurate with the modern CPA due to the association term; however, when a binary interaction parameter is used, the performance of the PR versions studied here are on average similar to those of CPA, and in some cases even superior. The original alpha function used in the PR equation and the original generalized form of the acentric factor are the best options for modeling organic acids + water systems when the binary interaction parameter is available. Temperature-dependent binary interaction parameters are provided as a database in modeling these complex systems.

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Peng-Robinson equation of state: 40 years through cubics

Cited by 298 publications

References 432 publications

A Novel Energy Factorization Approach for the Diffuse-Interface Model with Peng--Robinson Equation of State

A Novel Energy Factorization Approach for the Diffuse-Interface Model with Peng--Robinson Equation of State

Critical Analysis of Process Integration Options for Joule-Cycle and Conventional Heat Pumps

Evaluation of the Peng–Robinson and the Cubic-Plus-Association Equations of State in Modeling VLE of Carboxylic Acids with Water

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