The correlation and estimation of vapour pressures III. Reference values for low-pressure estimations

Ambrose, D.; Davies, R. H.

doi:10.1016/0021-9614(80)90032-4

Cited by 40 publications

(21 citation statements)

References 41 publications

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“…3 have been used for simultaneously correlating vapor pressures and thermal data; the four-and five-parameter forms are the most common, with A _ , and A. always differing from zero. A four-parameter relationship QL1 was employed for C, to C,, n-alkanes (King and Al-Najjar, 1974;King and Mahmud, 1986), and a five-parameter form QL12 was used for polar compounds (Ambrose and Davies, 1980;RBHiEka and Majer, 1986). The former expression was also used for representing temperature dependence of psat data in the DIPPR tables (Daubert and Danner, 1989) together with two additional four-parameter forms QL2 and QL6.…”

Section: Quasi-polynomial Equationsmentioning

confidence: 99%

“…For the group of 1-alkanols most equations fail in the si-multaneous correlation. The reason is obviously a more complex temperature variation of heat-capacity difference for hydrogen-bonded liquids (RhiiEka and compared to nonpolar and slightly polar compounds where the function C' = f ( T ) is only slightly curved (Ambrose and Davies, 1980) and close to a straight line for n-alkanes (King and Al-Najjar, 1974;RhiiZka and Majer, 1994). The only two equations that are flexible enough to simultaneously represent the psat and AC;ap data for 1-alkanols are the five-parameter relationship QL12 and the four-parameter Cox equation with the fixed normal boiling temperature C4b.…”

Section: Ability Of Equations To Fit Vapor Pressures and Heatcapacitymentioning

confidence: 99%

“…The method using the thermal data for extrapolating vapor pressures was first described by King and Al-Najjar (19741, and further developed by Ambrose and Davies (1980) and RiZiZka and Majer (1986). Several authors have discussed the thermodynamic basis and applicability of this method (Mosselman and van Vugt, 1982;Ambrose, 1985;Majer et al, 1988Majer et al, , 1989Lichtenstein, 1989), and several attempts were made to use this approach for the development of predictive equations (Rogalski, 1985;Guthrie, 1986;King and Mahmud, 1986;Vetere, 1988Vetere, , 1991.…”

Section: Introductionmentioning

confidence: 99%

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Simple and controlled extrapolation of vapor pressures toward the triple point

Růržička

Majer

1996

AIChE Journal

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Although experimental vapor pressures are abundant in the medium-pressure range (psat , their values are scarce and uncertain at lower pressures due to experimental difficulties in determining the data. Reliable values are, however, required by technology (separation processes dealing with mixtures containing high molar mass compounds) and environmental concerns (transport and fate of high-boiling pollutants). The ability of frequently used vapor-pressure equations to extrapolate the data at medium pressures toward the triple-point temperature was tested on three groups of compounds (polar and nonpolar organic chemicals, n-alkanes, and 1-alkanols) for which reliable experimental data in the low-pressure range were available. Results of a simple extrapolation were compared with those from a simultaneous correlation of vapor pressures in the medium-pressure range and the differences between heat capacity of an ideal gas and that of the liquid available at lower temperatures. The latter is generally more reliable, as it is controlled by the exact thermodynamic constraints linking vapor pressures and the thermal data. The extent of improvement when using simultaneous correlation was examined, as well as the influence of the quality of input data on the results of extrapolation. Extrapolated values were compared with experimental vapor pressures and calorimetric enthalpies of vaporization that were selected from literature and pee of any important systematic errors. to accurately determine psat at low pressures is of prime importance from an environmental point of view.Reliable vapor-pressure data in the low-pressure range can be used for determining enthalpies of vaporization AHvap of high boiling compounds at 298.15 K, the vaporization data play an important role in various thermochemical and thermodynamic calculations for converting different enthalpic quantities between the gaseous and liquid states. Good-qual-

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Section: Quasi-polynomial Equationsmentioning

confidence: 99%

Section: Ability Of Equations To Fit Vapor Pressures and Heatcapacitymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Simple and controlled extrapolation of vapor pressures toward the triple point

Růržička

Majer

1996

AIChE Journal

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“…BERTUCCO, R. PICCINNO AND G . SOAVE with satisfactory accuracy (among others, King and Al-Najjar, 1974;Mosselmann et al, 1982;Ambrose and Davies, 1984;Ambrose and Patel, 1984). In these papers, a procedure is usually devised for integrating the Clausius-Clapeyron equation by expressing the enthalpy and volume phase changes with suitable functions of pressure and temperature.…”

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confidence: 87%

A Method for Estimating Vapour Pressures of Pure High Boiling Substances

Bertucco

Piccinno

Soave

1991

Chemical Engineering Communications

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A method has been developed for extrapolating vapour pressures of pure substances below 1,300Pa. It is based on the integration of the Clausius Clapeyron equation, with a suitable expression of the integrating function. The vaporization enthalpy is extrapolated according to the Majer-Svoboda equation with parameters fitted on enthalpy values calculated from available data on vapour pressure above 1,300 Pa. The modified two-parameter Miller equation is used in vapour pressure data reduction. The change of molar volume is expressed by means of a modified Redlich-Kwong equation of state. The procedure is devised so that only vapour pressure data in the range 1,300-100,000Pa and critical temperature are needed for calculation. Results obtained with this method are compared for many compounds with available and selected vapour pressure data in the range 0.3-100 Pa. In conclusion, the proposed procedure ensures a good prediction of very low vapour pressures. When reliable and smooth pressure data are available at normal pressure, direct extrapolation of the Miller equation also gives good results, due to its small number of parameters.

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“…It is also possible to extend the use of the equation of state to calculate vapor pressure in the temperature range where experimental measurement of vapor pressure is difficult but the heat capacity data can be easily measured, e.g., high-boiling compounds at or near room temperature. The use of liquid heat capacity data is not new; Ambrose and Davies [ 13] and King and A1-Najjar [ 14] have used low-temperature heat capacity data to extend vapor pressure equations, and recently Twu et al [2] recommended the use of heat capacity data to improve the temperature dependence of the S-R-K equation of state.…”

Section: Introductionmentioning

confidence: 98%

Improvements of the Patel-Teja equation of state

Patel

1996

Int J Thermophys

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The Patel-Teja equation of state has been improved by modifying the temperature dependence of the attractive term to give simultaneous representation of vapor pressure, liquid density, and liquid heat capacity data for polar and nonpolar compounds. For many high-boiling industrially important compounds, the combination of available heat capacity and vapor pressure data provides a thermodynamically sound method of establishing the temperature dependence of the attractive term in the most practical range of 273-523 K. The performance of the equation of state is greatly improved if the critical pressure is used as the adjustable parameter to correlate the thermodynamic properties under the conditions of interest.

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The correlation and estimation of vapour pressures III. Reference values for low-pressure estimations

Cited by 40 publications

References 41 publications

Simple and controlled extrapolation of vapor pressures toward the triple point

Simple and controlled extrapolation of vapor pressures toward the triple point

A Method for Estimating Vapour Pressures of Pure High Boiling Substances

Improvements of the Patel-Teja equation of state

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