Vapour pressures of n-hexane determined by comparative ebulliometry

Ewing, M.B.; Ochoa, Jesus C. Sanchez

doi:10.1016/j.jct.2005.05.014

Cited by 12 publications

(5 citation statements)

References 30 publications

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“…Table shows the values obtained with the automatic system described, every 2 kPa as indicated in section 2.2. Figure a shows the differences between the new experimental values and those from literature. ,− It can be observed that the greatest differences correspond with data published by Sauermann, for hexane higher than 1% in the interval T < 380 K.…”

Section: Presentation Of Results and Modelingsupporting

confidence: 54%

Strategy for the Management of Thermodynamic Data with Application to Practical Cases of Systems Formed by Esters and Alkanes through Experimental Information, Checking-Modeling, and Simulation

Rios

Ortega

Sosa

et al. 2018

Ind. Eng. Chem. Res.

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In this work, a methodology is established to manage and use, in a more rigorous way, the experimental information that reflects the thermodynamic–mathematical behavior of dissolutions. The management of experimental information is carried out with an application on binaries of esters and alkanes which is useful in any other case. Specifically, for this work a new real database (of several properties under different conditions) is generated for eight binaries formed by four alkanoates, with a carbon number number ≥ 4, and two alkanes C6 and C8. A sequence of operations is proposed, ranging from experimentation to simulation, with two highly relevant intermediate stages, modeling↔verification of the quality of data, whose impact on the simulation is evaluated. The experimental contribution of some properties v E, c P E, h E, g E, gives rise to two very important operations, such as the combined modeling of the properties, taking into account the thermodynamic formalism, and the verification of the vapor–liquid equilibrium (VLE) data. For the latter process, the methodology designed in a previous work (J. Chem. Thermodyn.2017105385) is put into practice, as well as a new method, rigorous under a thermodynamic–mathematical point of view, in which the modeling of properties is considered. The binomial model-consistency test is generated as a strategic stage to define the quality of the data. To achieve an accurate modeling in the multifunctional correlation that is proposed, two procedures are adopted: (a), step-by-step (SSO), according to the inverse order of the derivation of the Gibbs function, and another (b), by multiobjective optimization (MOO). The parametrization obtained by the latter is implemented in the commercial software of Aspen-Plus to design a rectification operation to purify the compounds of one of the studied systems, comparing the results with those that the simulator emits with the information estimated by UNIFAC.

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Section: Presentation Of Results and Modelingsupporting

confidence: 54%

Strategy for the Management of Thermodynamic Data with Application to Practical Cases of Systems Formed by Esters and Alkanes through Experimental Information, Checking-Modeling, and Simulation

Rios

Ortega

Sosa

et al. 2018

Ind. Eng. Chem. Res.

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show abstract

“…( 28)+Eq. (23) or E.q.(48)+Eq. (47), are still robust in a region close to the critical point (𝑇 𝑟 → 0.999) and in a low temperature range, 𝑇 𝑟 → 0.1.…”

Section: Discussionmentioning

confidence: 99%

“…59) with analytical volume expressions, and points are experimental data. The data sources: Ar, [18]; Methane, [21]; Ethane, [19]; n-Butane, [22]; cyclohexane, [26]; n-Hexane, [23]; n-Heptane, [26]; Benzene [27].…”

Section: Analytically Expressions For Thermodynamic Propertiesmentioning

confidence: 99%

A revisit of the vapor-liquid equilibrium calculation with cubic equations of state

Liu

2022

Preprint

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Based on the roots-coefficient relations for a cubic function, quadratic functions are constructed that strictly relate the saturated volumes of liquid and vapor phases and the third solution from a cubic equation of state (EoS). The vapor-liquid equilibrium (VLE) calculation with a cubic EoS is thus reduced to solving a single nonlinear equation. In light of a recent finding that the “unphysical” third solution, namely the Maxwell crossover or the M-line, plays a central role as the dividing interface in the density gradient theory, here we show that it can also be used to derive analytically approximate solutions to a VLE problem. The van der Waals EoS and the Soave-Redlich-Kwong (SRK) EoS are discussed as examples. The method proposed in this work simplifies the calculations of the traditional VLE calculations with a cubic EoS. With one-time-only effort for a given system, simple analytical solutions can be obtained to avoid the repetitively iterative computations for a VLE problem. Finally, the relationship between the Widom line in the supercritical region and the M-line is briefly discussed with the SRK EoS.

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“…41) with analytical volume expressions, and points are experimental data. The data sources: Ar, [13]; Methane, [16]; Ethane, [14]; n-Butane, [17]; cyclohexane, [19,20]; n-Hexane, [18]; n-Heptane, [21]; Benzene, [22].…”

Section: The Analytical Solution To the Vle Problem With The Srk Eosmentioning

confidence: 99%

Analytically approximate solution to the VLE problem with the SRK equation of state

Liu

2020

Preprint

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Vapour pressures of n-hexane determined by comparative ebulliometry

Cited by 12 publications

References 30 publications

Strategy for the Management of Thermodynamic Data with Application to Practical Cases of Systems Formed by Esters and Alkanes through Experimental Information, Checking-Modeling, and Simulation

Strategy for the Management of Thermodynamic Data with Application to Practical Cases of Systems Formed by Esters and Alkanes through Experimental Information, Checking-Modeling, and Simulation

A revisit of the vapor-liquid equilibrium calculation with cubic equations of state

Analytically approximate solution to the VLE problem with the SRK equation of state

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