Teaching advanced equations of state in applied thermodynamics courses using open source programs

Martín, Ángel; Bermejo, M. Dolores; Mato, Fidel; Cocero, Marı́a José

doi:10.1016/j.ece.2011.08.003

Cited by 36 publications

(37 citation statements)

References 27 publications

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“…The physical properties in literature (TRC, 1996) were used for data processing by PR-EOS. Numerical values of k1 ij and k2 ij were obtained using a modification of the computer program in Matlab according to Martín et al (2011). The simplex method (Nelder and Mead, 1965) was used, and similarly to Eq.…”

Section: Pr-eos Modelmentioning

confidence: 99%

High pressure vapor–liquid equilibria of methyl acetate or ethyl acetate with 2-propanol at 1.5MPa. Experimental data and predictions

Susial

Badajoz

2015

Chemical Engineering Research and Design

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Section: Pr-eos Modelmentioning

confidence: 99%

High pressure vapor–liquid equilibria of methyl acetate or ethyl acetate with 2-propanol at 1.5MPa. Experimental data and predictions

Susial

Badajoz

2015

Chemical Engineering Research and Design

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“…First and foremost, the M-H EOS is widely applied as a specific EOS for a given substance, such as NH 3 [19], H 2 O [20,21], CO 2 [22], natural gas [23], substances in refrigeration industry [24][25][26] and so on. Second, the M-H EOS is extended to achieve diversified applications [27][28][29][30][31][32], e.g., the crossover multiparameter EOS [31,32]. Last but not least, the combination of the M-H EOS with other theories is further developed, which has solved many thorny problems in the past [33][34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

The Modification of the Martin-Hou Equation of State and its application in Liquid-phase State

Chen¹,

Yao²,

Quan³

et al. 2020

Preprint

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In order to further improve the accuracy in liquid-phase state and get a simpler algorithm, the Martin-Hou Equation of State is modified after rigorous data analyses in different cases. A new revision factor h, a function of critical compression factor, is introduced into the novel M-H EOS. According to the derivation of the new EOS, only a few number of physical properties are needed to characterize a given substance, which greatly reduced the difficulty of the solution about the EOS. The novel M-H EOS is applied to argon, methane, nitrogen, propane, benzene and water to verify the applicability and the accuracy in liquid-phase state. The overall average deviation for the six substance is 1.29% by the novel M-H EOS; as a comparison, the overall average deviation is 2.51% by Hou's M-H EOS, the novel M-H EOS obviously reduces the deviation and can universally be applied to most kinds of substances.

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“…ThermoLib is an open-source library and is available from www.psetools.org (Ritschel et al, 2016). There are already a few opensource libraries such as the simulink toolbox T-MATS by Chapman et al (2014) and a Matlab library by Martín et al (2011). Furthermore, the CALPHAD software OpenCalphad developed by Sundman et al (2015) contains an open-source module for evaluation of thermodynamic properties.…”

Section: Introductionmentioning

confidence: 99%

A Thermodynamic Library for Simulation and Optimization of Dynamic Processes

2017

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Process system tools, such as simulation and optimization of dynamic systems, are widely used in the process industries for development of operational strategies and control for process systems. These tools rely on thermodynamic models and many thermodynamic models have been developed for different compounds and mixtures. However, rigorous thermodynamic models are generally computationally intensive and not available as open-source libraries for process simulation and optimization. In this paper, we describe the application of a novel opensource rigorous thermodynamic library, ThermoLib, which is designed for dynamic simulation and optimization of vapor-liquid processes. ThermoLib is implemented in Matlab and C and uses cubic equations of state to compute vapor and liquid phase thermodynamic properties. The novelty of ThermoLib is that it provides analytical first and second order derivatives. These derivatives are needed for efficient dynamic simulation and optimization. The analytical derivatives improve the computational performance by a factor between 12 and 35 as compared to finite difference approximations. We present two examples that use ThermoLib routines in their implementations: (1) simulation of a vapor-compression cycle, and (2) optimal control of an isoenergetic-isochoric flash separation process. The ThermoLib software used in this paper is distributed as open-source software at www.psetools.org.

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Teaching advanced equations of state in applied thermodynamics courses using open source programs

Cited by 36 publications

References 27 publications

High pressure vapor–liquid equilibria of methyl acetate or ethyl acetate with 2-propanol at 1.5MPa. Experimental data and predictions

High pressure vapor–liquid equilibria of methyl acetate or ethyl acetate with 2-propanol at 1.5MPa. Experimental data and predictions

The Modification of the Martin-Hou Equation of State and its application in Liquid-phase State

A Thermodynamic Library for Simulation and Optimization of Dynamic Processes

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