A comparison between Peng-Robinson and Soave-Redlich-Kwong cubic equations of state from modification perspective

Ghanbari, Mehdi; Ahmadi, Mahdi; Lashanizadegan, Asghar

doi:10.1016/j.cryogenics.2017.04.001

Cited by 33 publications

(17 citation statements)

References 47 publications

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“…For carbon dioxide, the regressions using depth three to depth five binary expression trees are shown in Figures 4B–6B. The Twu and Soave alpha functions are more consistent with the vapor pressure, again noted by Ghanbari et al 32 . However, compared to the argon alpha function, there is more extrapolated behavior that violates the thermodynamic constraints applied to the alpha function.…”

Section: Case Study: Constrained Regression Of Thermodynamic Alpha Fu...supporting

confidence: 57%

“…Following the development of these new rules for thermodynamic consistency of alpha functions, there has been further evaluation of commonly used alpha functions within the RK and PR equations of state in the supercritical regime. Ghanbari et al 32 compared these two equations over various thermodynamic regions of importance, such as critical and subcritical, with a focus on the alpha function values. The cubic EOS were assessed using PVT calculations in the vapor–liquid equilibrium and Joule–Thomson inversion curves to evaluate their ability to describe critical behavior.…”

Section: Case Study: Constrained Regression Of Thermodynamic Alpha Fu...mentioning

confidence: 99%

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Deterministic symbolic regression with derivative information: General methodology and application to equations of state

Engle

Sahinidis

2021

AIChE Journal

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Symbolic regression methods simultaneously determine the model functional form and the regression parameter values by generating expression trees. Symbolic regression can capture the complexity of real‐world phenomena but the use of deterministic optimization for symbolic regression has been limited due to the complexity of the search space of existing formulations. We present a novel deterministic mixed‐integer nonlinear programming formulation for symbolic regression that incorporates derivative constraints through auxiliary expression trees. By applying the chain rule to mathematical operations, binary expression trees are capable of representing the calculation of first and second derivatives. We apply this formulation to illustrative examples using derivative information to show increased model discrimination capability. In addition, we perform a case study of a thermodynamic equation of state to gain insight on valid functional forms with thermodynamics‐based constraints on the first and second derivatives.

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Section: Case Study: Constrained Regression Of Thermodynamic Alpha Fu...supporting

confidence: 57%

Section: Case Study: Constrained Regression Of Thermodynamic Alpha Fu...mentioning

confidence: 99%

Deterministic symbolic regression with derivative information: General methodology and application to equations of state

Engle

Sahinidis

2021

AIChE Journal

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“…Both EoS are known for their accuracy for multi-phase and multi-component fluids at pressures MPa and temperatures between 300 and 500 K, covering the conditions exhibited in most geological basins across the world 7 , 14 , 16 , 43 . We extend application of these EoS to CO 2 , methane and hydrogen as the PR78 and SRK EoS only become unstable when the reduced temperature, , whereby , temperature and critical temperature 44 . As values of CO , methane and hydrogen are 305.1 K, 190.6 K and 33.2 K, respectively, the corresponding minimum values for the PR78 and SRK EoS to remain stable are 183 K for CO , 114 K for methane and 20 K for hydrogen.…”

Section: Methodsmentioning

confidence: 99%

Computation of vertical fluid mobility of CO$$_{2}$$, methane, hydrogen and hydrocarbons through sandstones and carbonates

Lodhia

Clark

2022

Sci Rep

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Over the last decade, there has been an irreversible shift from hydrocarbon exploration towards carbon storage, low-carbon energy generation and hydrogen exploration. Whilst basin modelling techniques may be used to predict the migration of hydrocarbons through sedimentary basins on geological timescales, there remains little understanding of how fluids behave at the basin scale on present-day timescales. We apply the Darcy flow equation to present an algorithm to determine the basin-scale mobilities and maximum vertical velocity, $$v_{max}$$ v max , of CO$$_{2}$$ 2 , methane, hydrogen and hydrocarbons with depth for sandstone and carbonate. $$v_{max}$$ v max for CO$$_{2}$$ 2 and methane are on scales of m/year, whilst values for hydrocarbon fluids are an order of magnitude smaller than for other fluids. Our results indicate that the fluid mobility of subsurface CO$$_{2}$$ 2 may be sensitive to surface and near-surface temperature variations. $$v_{max}$$ v max for hydrogen is approximately 2–10 times greater than hydrocarbon fluids, yielding important consequences for the future use of basin modelling software for determining hydrogen migration for exploration and storage.

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“…However, despite the lack of variation in results obtained with both equations of state, the Peng-Robinson method was selected for the study. This was due to the fact that the Peng-Robinson equation has demonstrated superiority over the Redlich-Kwong-Soave equation when predicting subcritical properties such as vapor pressure and enthalpies of vaporisation [30]. Nonetheless, both equations of state are suitable to be used with the reactor model produced.…”

Section: Effects Of Equation Of Statementioning

confidence: 99%

Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors

Hafeez

Mahmood²,

Aristodemou

et al. 2021

Fuels

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A process simulation model was created using Aspen Plus to investigate the hydrodeoxygenation of 4-propylguaiacol, a model component in lignin-derived pyrolysis oil, over a presulphided NiMo/Al2O3 solid catalyst. Process simulation modelling methods were used to develop the pseudo-homogeneous packed bed microreactor. The reaction was conducted at 400 °C and an operating pressure of 300 psig with a 4-propylguaiacol liquid flow rate of 0.03 mL·min−1 and a hydrogen gas flow rate of 0.09 mL·min−1. Various operational parameters were investigated and compared to the experimental results in order to establish their effect on the conversion of 4-propylguaiacol. The parameters studied included reaction temperature, pressure, and residence time. Further changes to the simulation were made to study additional effects. In doing so, the operation of the same reactor was studied adiabatically, rather than isothermally. Moreover, different equations of state were used. It was observed that the conversion was enhanced with increasing temperature, pressure, and residence time. The results obtained demonstrated a good model validation when compared to the experimental results, thereby confirming that the model is suitable to predict the hydrodeoxygenation of pyrolysis oil.

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A comparison between Peng-Robinson and Soave-Redlich-Kwong cubic equations of state from modification perspective

Cited by 33 publications

References 47 publications

Deterministic symbolic regression with derivative information: General methodology and application to equations of state

Deterministic symbolic regression with derivative information: General methodology and application to equations of state

Computation of vertical fluid mobility of CO$$_{2}$$, methane, hydrogen and hydrocarbons through sandstones and carbonates

Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors

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