Research into the Polynomial Alpha Function for the Cubic Equation of State

Zhao, Wenying; Sun, Xiaoyan; Li, Xia; Xiang, Shuguang

doi:10.1021/acs.iecr.8b02549

Cited by 8 publications

(2 citation statements)

References 99 publications

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“…[70] Peng-Robinson's (PR) cubic equation of state with BostonÀMathias (BM) alpha function [71] was selected as a thermodynamic property method since it can accurately predict thermodynamic properties of interest for this study due to its closer compression factor (0.307) to that of real hydrocarbons (0.27-0.29). [72,73] This method, represented in Aspen Plus [74] as the PR-BM method, is the most commonly used property method in gas processing, refining, petrochemicals, and biomass pyrolysis applications. [41,62,75] Aspen Plus performs material and energy balance based on the product distribution and the specified heat of reaction of the components involved.…”

Section: Computational Studymentioning

confidence: 99%

Performance assessment of drop tube reactor for biomass fast pyrolysis using process simulator

Wako,

Pio,

Lofti

et al. 2023

Can J Chem Eng

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Biomass pyrolysis process from a drop tube reactor was modelled in a plug flow reactor using Aspen Plus process simulation software. A kinetic mechanism for pyrolysis was developed considering the recent improvements and updated kinetic schemes to account for different content of cellulose, hemicellulose, and lignin. In this regard, oak, beechwood, rice straw, and cassava stalk biomasses were analyzed. The main phenomena governing the pyrolysis process are identified in terms of the characteristic times. Pyrolysis process was found to be reaction rate controlled. Effects of pyrolysis temperature on bio‐oil, gases, and char yields were evaluated. At optimum pyrolysis conditions (i.e., 500°C), a bio‐oil yield of 67.3, 64, 43, and 52 wt.% were obtained from oak, beechwood, rice straw, and cassava stalk, respectively. Oak and beechwood were found to give high yields of bio‐oil, while rice straw produced high gas and char yields compared to other biomasses. Although temperature is the main factor that plays a key role in the distribution of pyrolysis products, the composition of cellulose, hemicellulose, and lignin in the feedstock also determines the yield behaviour and composition of products. With the rise in pyrolysis temperature, further decomposition of intermediate components was initiated favouring the formation of lighter fractions. Comparably, species belonging to the aldehyde chemical family had the highest share of bio‐oil components in all the investigated feedstocks. Overall, the present study shows a good agreement with the experimental study reported in the literature, confirming its validity as a predictive tool for the biomass pyrolysis process.

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Section: Computational Studymentioning

confidence: 99%

Performance assessment of drop tube reactor for biomass fast pyrolysis using process simulator

Wako,

Pio,

Lofti

et al. 2023

Can J Chem Eng

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show abstract

“…For hydrocarbon mixtures with heavy fractions, however, the PR EoS is somewhat more accurate, especially, in predicting liquid density. These EoSs are still subject of research to improve their accuracies [17,18].…”

Section: Introductionmentioning

confidence: 99%

A Systematic Study of Cubic Equations of State with van der Waals Mixing Rules and Different Combining Rules in Predicting the Densities of LNG and Natural Gas Model Systems

Al-Manthari¹,

Al-Wadhahi²,

Nasrifar³

et al. 2019

International Journal of Thermodynamics

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Cubic equations (EoSs) of state are successfully used in petroleum and natural gas industry. In order to extend these equations to mixtures, van der Waals mixing rules with Lorentz-Berthelot (LB) combining rules are often employed; however, the accuracies of these EoSs in predicting the liquid densities of hydrocarbon mixtures are not adequate. The main objective of this study was comparing 13 EoSs coupled with 10 combining rules in predicting the densities of hydrocarbon mixtures. Binary and ternary liquid mixtures, LNG mixtures and synthetic natural gas mixtures comprising 752 data points were collected and used in this study. Results revealed that for predicting the liquid densities of binary and ternary mixtures, the Schmidt and Wenzel (SW) EoS coupled with Hudson-McCoubrey (HMC) or LB combining rules are the best among the others. The SW EoS coupled with the LB combining rules were also the best in predicting the densities of the LNG mixtures. Additionally, the LB combining rules are the best in predicting natural gas mixtures densities using the Patel and Teja (PT), SW and Patel-Teja-Valderrama (PTV) EoSs. In general, it was found that the Redlich-Kwong (RK) family EoSs, SW and Trebble-Bishnoi-Salim (TBS) EoSs are best coupled with the LB combining rules. However, the Peng and Robinson (PR) family EoSs with Halgren (HHG) combining rules were in better agreement with experimental data. The Waldman-Hagler (WH) combining rules lacked predictability when coupled with the most EoSs.

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Analytical attractive functions and their derivatives in bulk and nanoconfined pores

2019

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In this paper, two new analytical attractive (alpha) functions and their derivatives in bulk and nanoconfined pores are developed based on the virial equation of state (EOS) and statistical thermodynamics and are evaluated at different conditions for the first time. A cubic EOS is modified to nanometer scale and applied to predict the thermodynamic and phase properties in bulk and nanoconfined pores coupled with the new analytical alpha functions. The nanoscale‐extended EOS coupled with the analytical alpha functions are validated to be accurate by means of the experimental data for the thermodynamic and phase calculations. The alpha functions and dimensionless attractive term A for the O2, Ar, CO2, N2, and C1‐C10 are always positive and monotonically decrease with the temperature increases at T ≤ 2000 K in the bulk phase, whereas the second virial coefficients (B2) are always negative and increase with the temperature increases. Moreover, the alpha functions, A, and B2 for all of components remain constant with the decreasing pore radius until rp = 50 nm, the former two of which decrease while the latter one increases by further reducing the pore radius. It should be noted that the intermolecular attractive force (ie, A) is a function of the pressure, which is gradually increased at P ≤ 10 MPa though drastically increases afterwards. Also, the enhanced confinement effects lead the same‐component intermolecular attractive forces to be smaller. The analytical formulations in the SRK type slightly outperform in the gaseous or light component cases, while those in the PR type are better for the heavy component cases in terms of the thermodynamic property calculations, both of which are compatible with the modified EOS and analytical alpha functions.

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Research into the Polynomial Alpha Function for the Cubic Equation of State

Cited by 8 publications

References 99 publications

Performance assessment of drop tube reactor for biomass fast pyrolysis using process simulator

Performance assessment of drop tube reactor for biomass fast pyrolysis using process simulator

A Systematic Study of Cubic Equations of State with van der Waals Mixing Rules and Different Combining Rules in Predicting the Densities of LNG and Natural Gas Model Systems

Analytical attractive functions and their derivatives in bulk and nanoconfined pores

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