Measurement and modeling of isobaric vapor – Liquid equilibrium and isothermal interfacial tensions of ethanol + hexane + 2,5 – Dimethylfuran mixture

Hernández, Ariel; Cartes, Marcela; Mejı́a, Andrés

doi:10.1016/j.fuel.2018.04.079

Cited by 27 publications

(16 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Redlich-Kwong model was used to determine gas composition, while NRTL method was used to describe liquid phase (Rocha et al, 2014;Li et al, 2016;Liu et al, 2018). Since reaction and separation units involve gas-liquid and liquid-liquid multiphase system in this work, NRTL (nonrandom two liquid) model is supposed to be well predictive in determining the actual composition of various components (Poozesh et al, 2015;Li et al, 2016;Mirzaei et al, 2016;Xie et al, 2016;Hernández et al, 2018;Ma et al, 2018;Ma et al, 2019;Qin et al, 2019;Chen et al, 2020). Redlich-Kwong and NRTL models are only suitable for polar and gas-liquid phase systems.…”

Section: Methodology Thermodynamic Modelmentioning

confidence: 99%

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Sun

Zhang

et al. 2022

Front. Chem.

View full text Add to dashboard Cite

Hydrogenolysis of glycerol to propylene glycol represents one of the most promising technologies for biomass conversion to chemicals. However, conventional hydrogenolysis processes are often carried out under harsh H2 pressures and temperatures, leading to intensive energy demands, fast catalyst deactivation, and potential safety risks during H2 handling. Catalytic transfer hydrogenolysis (CTH) displays high energy and atom efficiency. We have studied a series novel solid catalysts for CTH of glycerol. In this work, detailed studies have been conducted on energy optimization, tech-economic analysis, and environmental impact for both processes. The key finding is that relatively less energy demands and capital investment are required for CTH process. CO2 emission per production of propylene glycol is much lower in the case of transfer hydrogenolysis. The outcome of this study could provide useful information for process design and implementation of novel hydrogenolysis technologies for other energy and environmental applications.

show abstract

Section: Methodology Thermodynamic Modelmentioning

confidence: 99%

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Sun

Zhang

et al. 2022

Front. Chem.

View full text Add to dashboard Cite

show abstract

“…At these thermal conditions, the accuracies of the mole fractions measurements were better than ±0.001. Complementary details related to the devices as well as experimental procedures have been recently discussed in depth in our previous works ,− and references therein.…”

Section: Methodsmentioning

confidence: 99%

“…An excellent account relates to the potential use of oxygenate additives for fuel can be found in refs − as well as in some of our previous works related to the characterization of the thermophysical properties of oxygenated gasoline. See refs − and references therein.…”

Section: Introductionmentioning

confidence: 99%

Experimental Determination of Isobaric Vapor–Liquid Equilibrium and Isothermal Interfacial Tensions for the Binary Ethanol + Cyclopentyl Methyl Ether Mixture

Mejı́a

Cartes

2019

J. Chem. Eng. Data

Self Cite

View full text Add to dashboard Cite

This work describes the vapor–liquid equilibrium (VLE) data experimentally measured at three isobaric conditions 50, 75, and 94 kPa and over the temperature range from 334 to 375 K and the atmospheric interfacial tensions (IFT) measured at the isothermal of 298.15 K in the whole mole fraction range for the ethanol + cyclopentyl methyl ether binary system. In order to carry out the experimental determinations, a dynamic all-glass Guillespie type cell was used to carry out VLE measurements, whereas a maximum differential bubble pressure tensiometer was used to IFT determinations. Because few experimental data are available for cyclopentyl methyl ether, vapor pressures and interfacial tensions have also been measured over the temperature range 341–378 K and 298–353 K, respectively. According to the experimental results, the binary system ethanol + cyclopentyl methyl ether displays a positive deviation from the Raoult’s law with a minimum temperature azeotropic over the whole explored pressure range. The azeotropic mole fraction increases in ethanol as pressure and/or temperature increases. For the case of interfacial tensions, they display positive deviation from the linear behavior. The measured VLE data of the ethanol + cyclopentyl methyl ether mixture are thermodynamically consistent as stated by the Fredenlund’s test. Additionally, the VLE were well-correlated by classical activity coefficients models (e.g., Wohl, NRTL, Wilson, and UNIQUAC) for all of the measured isobar conditions. The measured interfacial tensions of the mixture were satisfactorily correlated by the Myers–Scott equation.

show abstract

“…The first issue has been surpassed using NRTL model alongside MHV mixing rule. 74 Once again the proposed SGT solution is not restricted to binary mixtures. As an extension of the mixture of n-hexane and ethanol, the ternary mixture of n-hexane, ethanol and CPME has been measured and theoretically modeled using PRSV + MHV + NRTL coupled to SGT.…”

Section: Sgt Implementationmentioning

confidence: 99%

“…Two of the main difficulties when modeling this mixture is that the fitted interaction parameters tend to predict VLLE and that the density profiles exhibit several stationary points, that is, absorption and desorption simultaneously when β ij = 0, as showed by Cornelisse 16 in his doctoral thesis. The first issue has been surpassed using NRTL model alongside MHV mixing rule 74 . Once again PRSV EoS will be used to model this mixture.…”

Section: Sgt Implementationmentioning

confidence: 99%

Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Chaparro

Mejı́a

2020

J Comput Chem

Self Cite

View full text Add to dashboard Cite

Phasepy is a Python based package for fluid phase equilibria and interfacial properties calculation from equation of state (EoS). Phasepy uses several tools (i.e., NumPy, SciPy, Pandas, Matplotlib) allowing use Phasepy under Jupyter Notebooks. Phasepy models phase equilibria with the traditional ϕ-γ and ϕ-ϕ approaches, where ϕ (fugacity coefficient) can be modeled as a perfect gas, virial gas or EoS fluid, whereas γ (activity coefficient) can be described by conventional models (NRTL, Wilson, Redlich-Kister expansion, and the group contribution modified-UNIFAC). Interfacial properties are based on the square gradient theory couple to ϕ-ϕ approach. The available EoSs are the cubic EoS family extended to mixtures through the quadratic, modified-Huron-Vidal, and Wong-Sandler mixing rules. Phasepy allows to analyze phase stability, compute phase equilibria, interfacial properties, and optimize their parameters for vapor-liquid, liquid-liquid, and vapor-liquid-liquid equilibria for multicomponent mixtures. Phasepy implementation, and robustness are illustrated for binary and ternary mixtures.

show abstract

Measurement and modeling of isobaric vapor – Liquid equilibrium and isothermal interfacial tensions of ethanol + hexane + 2,5 – Dimethylfuran mixture

Cited by 27 publications

References 37 publications

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Experimental Determination of Isobaric Vapor–Liquid Equilibrium and Isothermal Interfacial Tensions for the Binary Ethanol + Cyclopentyl Methyl Ether Mixture

Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Contact Info

Product

Resources

About

Measurement and modeling of isobaric vapor – Liquid equilibrium and isothermal interfacial tensions of ethanol + hexane + 2,5 – Dimethylfuran mixture

Cited by 27 publications

References 37 publications

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Hydrogenolysis of Glycerol to Propylene Glycol: Energy, Tech-Economic, and Environmental Studies

Experimental Determination of Isobaric Vapor–Liquid Equilibrium and Isothermal Interfacial Tensions for the Binary Ethanol + Cyclopentyl Methyl Ether Mixture

Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Contact Info

Product

Resources

About

Measurement and modeling of isobaric vapor – Liquid equilibrium and isothermal interfacial tensions of ethanol + hexane + 2,5 – Dimethylfuran mixture