Methods for Calculating the Critical Constants of Hydrocarbons (Using the <i>n</i>-Alkane Series as an Example)

Bychinsky, V. A.; Tupitsyn, Alexey A.; Чудненко, К. В.; Mukhetdinova, Anastasiya V.

doi:10.1021/je400547n

Cited by 9 publications

(9 citation statements)

References 32 publications

(90 reference statements)

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“…In eq , σ 0 , σ 1 , and σ 2 represent fit parameters and are given in Table . In this table, also the critical temperatures T C are listed which were directly used from literature for the systems n -C 12 H 26 and n -C 28 H 58 . For the critical temperature of the binary mixture 0.3 n -C 12 H 26 /0.7 n -C 28 H 58 , the mixing rule according to Lee and Kesler was employed taking into consideration the T C values of the pure substances and assuming a constant mole fraction ratio of 0.3/0.7 over the entire temperature range.…”

Section: Resultsmentioning

confidence: 99%

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Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering

et al. 2017

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The present contribution provides experimental data for the liquid viscosity and surface tension of n-alkane based model systems at temperatures up to 573 K. The fundamental advantage of the used surface light scattering (SLS) method lies in its application in thermodynamic equilibrium without calibration in a contactless way. The investigated systems comprise the pure fluids n-dodecane (n-C 12 H 26 ) and n-octacosane (n-C 28 H 58 ), their binary mixture at a n-C 12 H 26 mole fraction of about 0.3, and the commercially available hydrocarbon wax SX-70 representing a multicomponent mixture of n-alkanes with a broad chain length distribution. For the first time, it could be demonstrated that the SLS method can simultaneously access the liquid viscosity and surface tension of such medium-to long-chained n-alkane systems close to saturation conditions over a broad temperature range from 323 to 573 K. Typical measurement uncertainties of 2% based on a coverage factor k = 2, i.e., a level of confidence of more than 95%, were obtained. Over the entire temperature range, a simple polynomial equation for the dynamic viscosity and a modified van der Waals equation for the surface tension represent the measured data of the pure and binary systems well. The present investigations improve the data situation for hydrocarbon systems in the high-temperature range where no measurement results exist in literature.

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Section: Resultsmentioning

confidence: 99%

“… a Standard percentage deviation of σ to the fit. b Employed from ref . c Calculated according to ref , using the data from ref . …”

Section: Resultsmentioning

confidence: 99%

Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering

et al. 2017

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“…6. The proposed model and PC-SAFT show similar accuracy with respect to the experimental critical properties [55].…”

Section: N-alkanesmentioning

confidence: 68%

“…Solid lines correspond to the proposed model and dashed lines correspond to PC-SAFT with refitted pure component parameters. Symbols represent experimental data[55].…”

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confidence: 99%

Simplified Flory-dimer equation of state for application to non-associating fluids, polymers and their mixtures

Yang

Bae

2015

Fluid Phase Equilibria

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“…Due to the huge number of isomers of alkanes, determining the physicochemical properties of all compounds experimentally is an impossible task, so it is very meaningful to establish an estimation method. Until now, people have gradually established many valuable estimation methods, − such as (i) group-contribution (GC) methods, ,,,,,,, (ii) estimating one physicochemical property from that of other compounds, <...…”

Section: Introductionmentioning

confidence: 99%

New Method of NPOH Equation-Based to Estimate the Physicochemical Properties of Noncyclic Alkanes

Cao

2023

ACS Omega

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Changes in various physicochemical properties (P (n) ) of noncyclic alkanes can be roughly classified as linear and nonlinear changes. In our previous study, the NPOH equation was proposed to express nonlinear changes in the properties of organic homologues. Until now, there has been no general equation to express nonlinear changes in the properties of noncyclic alkanes involving linear and branched alkane isomers. This work, on the basis of NPOH equation, proposes a general equation to express nonlinear changes in the physicochemical properties of noncyclic alkanes, including a total of 12 properties, boiling point, critical temperature, critical pressure, acentric factor, heat capacity, liquid viscosity, and flash point, named as the "NPNA equation", as follows: ln(P, where a, b, c, and f are coefficients, and P (n) represents the property of the alkane with n carbon atom number. n, S CNE , ΔAOEI, and ΔAIMPI are number of carbon atoms, sum of carbon number effects, average odd− even index difference, and average inner molecular polarizability index difference, respectively. The obtained results show that various nonlinear changes in the properties of noncyclic alkanes can be expressed by the NPNA equation. Nonlinear and linear change properties of noncyclic alkanes can be correlated with four parameters, n, S CNE , ΔAOEI, and ΔAIMPI. The NPNA equation has the advantages of uniform expression, usage of fewer parameters, and high estimation accuracy. Furthermore, using the above four parameters, a quantitative correlation equation can be established between any two properties of noncyclic alkanes. Employing the obtained equations as model equations, the property data of noncyclic alkanes, involving 142 critical temperatures, 142 critical pressures, 115 acentric factors, 116 flash points, 174 heat capacities, 142 critical volumes, and 155 gas enthalpies of formation, a total of 986 values, were predicted, which have not be experimentally measured. NPNA equation not only can provide a simple and convenient estimation or prediction method for the properties of noncyclic alkanes but also can provide new perspectives for studying quantitative structure−property relationships of branched organic compounds.

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Methods for Calculating the Critical Constants of Hydrocarbons (Using the n-Alkane Series as an Example)

Cited by 9 publications

References 32 publications

Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering

Liquid Viscosity and Surface Tension of n-Dodecane, n-Octacosane, Their Mixtures, and a Wax between 323 and 573 K by Surface Light Scattering

Simplified Flory-dimer equation of state for application to non-associating fluids, polymers and their mixtures

New Method of NPOH Equation-Based to Estimate the Physicochemical Properties of Noncyclic Alkanes

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