The enthalpy of trans-decalin between 360 and 700 K and at pressures to 10.3 MPa

Robinson, David S.; Kidnay, A.J.; Yesavage, V.F.

doi:10.1016/0021-9614(85)90079-5

Cited by 9 publications

(4 citation statements)

References 15 publications

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“…To search for parameters, firstly, the vapor-liquid equilibrium of pure trans-decalin was calculated at various values of σ in the range from 3.5 to 5.5 angstroms. For each of the values of σ, the value of ε was determined by the best description of the experimental values of saturated vapor pressure [35][36][37]. Figure 2 shows an example of a comparison of experimental and calculated vapor pressure for the value σ = 3.6 Å.…”

Section: Force Field Parameterization Algorithmmentioning

confidence: 99%

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Force Field for Calculation of the Vapor-Liquid Phase Equilibrium of trans-Decalin

Anashkin,

Klinov

2023

ChemEngineering

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Based on the TraPPE force field, previously unknown values of the parameters of the intermolecular interaction potential of trans-decalin were determined. Parametrization was carried out using experimental data on saturated vapor pressure and density at atmospheric pressure. The found parameters make it possible to adequately describe the boiling and condensation lines of trans-decalin and also predict the critical values of pressure, density, and temperature with satisfactory accuracy. Calculations of vapor-liquid phase equilibrium conditions for a binary CO2—trans-decalin mixture in supercritical conditions for CO2 were carried out. When quantitatively comparing the calculated values with experimental data, an underestimation of pressure at a temperature of 345.4 K by 30% is observed, which decreases to 5% for temperatures up to 525 K.

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Section: Force Field Parameterization Algorithmmentioning

confidence: 99%

“…Figure6. Saturated vapor pressure of trans-decalin, black symbols-experimental data, circles-[35], squares-[37], diamonds-[36], red triangles-simulation results.…”

mentioning

confidence: 99%

Force Field for Calculation of the Vapor-Liquid Phase Equilibrium of trans-Decalin

Anashkin,

Klinov

2023

ChemEngineering

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“…In a previous paper (6) data were reported for the m -cresol/1 -methylnaphthalene/ trans -decalin system, a mixture of an acidic oxygen compound with an aromatic and a naphthenic compound. Enthalpy measurements have been completed on each of the four pure fluids (1,3,4,7,8)•, however, no enthalpy measurements have to date been reported for the quinoline/ 1-methylnaphthalene/ trans -decalin ternary system or for any quaternary mixtures of coal-derived liquid model compound mixtures. These multicomponent system data are useful in studying the common assumption of characterizing actual undefined mixtures, such as coal-derived liquids, in terms of lumped compound types.…”

Section: Introductionmentioning

confidence: 99%

Enthalpy of ternary mixtures of quinoline/1-methylnaphthalene/trans-decalin and quaternary mixtures of m-cresol/quinoline/1-methylnaphthalene/trans-decalin between 291 and 650 K at pressures of 207 and 10342 kPa

Yesavage¹,

Niesen²,

Flanigan³

et al. 1988

J. Chem. Eng. Data

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Experimental enthalpy measurements were made on three ternary mixtures of quinoline, 1-methylnaphthalene, and trans-decalln and three quaternary mixtures of m -cresol, quinoline, 1-methylnaphthalene, and trans -decalin at temperatures between 291.5 and 650 K and pressures of 206.8 and 10342.1 kPa using a reference fluid boll-off calorimeter. Enthalpy values predicted by the Soave-Redllch-Kwong equation of state agreed reasonably well with the experimental data for the ternary mixtures. However, due to the strong Interaction between the addle oxygen of m -cresol and the basic nitrogen of qulndlne, predicted enthalpy values did not agree very well with the experimental quaternary data.

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“…Such a system simulates the kinds of interactions likely to be present in coal-derived liquids. Enthalpy measurements have been completed on each of the three pure fluids (1, 4,5,6)•, however, no enthalpy measurements have to date been reported for mixtures of m -cresol/ 1-methylnaphthalene/frans -decalin. These multicomponent system data can also be useful in studying the common assumption of characterizing actual undefined mixtures, such as coal-derived liquids, in terms of lumped compound types.…”

Section: Introductionmentioning

confidence: 99%

Enthalpy of ternary mixtures of m-cresol/1-methylnaphthalene/trans-decalin between 291 and 650 K at pressures of 207, 690, and 10342 kPa

Yesavage¹,

Niesen²,

Flanigan³

et al. 1987

J. Chem. Eng. Data

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The enthalpy of trans-decalin between 360 and 700 K and at pressures to 10.3 MPa

Cited by 9 publications

References 15 publications

Force Field for Calculation of the Vapor-Liquid Phase Equilibrium of trans-Decalin

Force Field for Calculation of the Vapor-Liquid Phase Equilibrium of trans-Decalin

Enthalpy of ternary mixtures of quinoline/1-methylnaphthalene/trans-decalin and quaternary mixtures of m-cresol/quinoline/1-methylnaphthalene/trans-decalin between 291 and 650 K at pressures of 207 and 10342 kPa

Enthalpy of ternary mixtures of m-cresol/1-methylnaphthalene/trans-decalin between 291 and 650 K at pressures of 207, 690, and 10342 kPa

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