Wagner liquid–vapour pressure equation constants from a simple methodology
► Simple methodology to estimate Wagner vapor pressure equation constants. ► Full range liquid-vapor pressure predictions from limited data. ► Constants satisfy the Waring criterion. A methodology to determine the A, B, C, and D constants from the Wagner equation is presented. The constants for 274...
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| Published in | The Journal of chemical thermodynamics Vol. 43; no. 8; pp. 1235 - 1251 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
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01.08.2011
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| Abstract | ► Simple methodology to estimate Wagner vapor pressure equation constants. ► Full range liquid-vapor pressure predictions from limited data. ► Constants satisfy the Waring criterion.
A methodology to determine the
A,
B,
C, and
D constants from the Wagner equation is presented. The constants for 274 pure substances were determined by minimization in the sum of the squares of the relative deviation in liquid vapour pressure. For 69 chemical compounds, vapour pressures exist over the range from 1
kPa to the critical pressure and an average absolute deviation in vapour pressure of 0.039% was calculated. Using Antoine equation coefficients and initial guesses for a correlation in terms of the acentric factor, Wagner constants were estimated for substances with limited data within the range from (1 to 200)
kPa. To validate the proposed methodology, vapour pressure predictions from 1
kPa to the critical pressure were made for 52 substances using Wagner parameters estimated from limited data. A value of 0.27% in average absolute deviation results for those substances. Finally the Waring criterion was applied to check the constants presented in this paper. |
|---|---|
| AbstractList | ► Simple methodology to estimate Wagner vapor pressure equation constants. ► Full range liquid-vapor pressure predictions from limited data. ► Constants satisfy the Waring criterion.
A methodology to determine the
A,
B,
C, and
D constants from the Wagner equation is presented. The constants for 274 pure substances were determined by minimization in the sum of the squares of the relative deviation in liquid vapour pressure. For 69 chemical compounds, vapour pressures exist over the range from 1
kPa to the critical pressure and an average absolute deviation in vapour pressure of 0.039% was calculated. Using Antoine equation coefficients and initial guesses for a correlation in terms of the acentric factor, Wagner constants were estimated for substances with limited data within the range from (1 to 200)
kPa. To validate the proposed methodology, vapour pressure predictions from 1
kPa to the critical pressure were made for 52 substances using Wagner parameters estimated from limited data. A value of 0.27% in average absolute deviation results for those substances. Finally the Waring criterion was applied to check the constants presented in this paper. A methodology to determine the A, B, C, and D constants from the Wagner equation is presented. The constants for 274 pure substances were determined by minimization in the sum of the squares of the relative deviation in liquid vapour pressure. For 69 chemical compounds, vapour pressures exist over the range from 1 kPa to the critical pressure and an average absolute deviation in vapour pressure of 0.039% was calculated. Using Antoine equation coefficients and initial guesses for a correlation in terms of the acentric factor, Wagner constants were estimated for substances with limited data within the range from (1 to 200) kPa. To validate the proposed methodology, vapour pressure predictions from 1 kPa to the critical pressure were made for 52 substances using Wagner parameters estimated from limited data. A value of 0.27% in average absolute deviation results for those substances. Finally the Waring criterion was applied to check the constants presented in this paper. |
| Author | Forero G., Luis A. Velásquez J., Jorge A. |
| Author_xml | – sequence: 1 givenname: Luis A surname: FORERO G fullname: FORERO G, Luis A organization: Pulp and Paper Research Group, Faculty of Chemical Engineering, Universidad Pontificia Bolivariana, Circular 1 – sequence: 2 givenname: Jorge A surname: VELASQUEZ J fullname: VELASQUEZ J, Jorge A organization: Pulp and Paper Research Group, Faculty of Chemical Engineering, Universidad Pontificia Bolivariana, Circular 1 |
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| Cites_doi | 10.1021/je0001680 10.1021/je800375t 10.1016/j.fluid.2007.04.012 10.1021/i200021a023 10.1021/je00019a002 10.1016/0009-2509(72)80096-4 10.1021/je700336g 10.1021/je9501999 10.1021/i200031a023 10.1007/s10765-005-5576-4 10.1016/0011-2275(73)90003-9 10.1021/je000210r 10.1006/jcht.1995.0012 10.1021/je100656d 10.1021/je9501548 10.1016/0009-2509(82)80099-7 10.1021/je050221q 10.1016/0021-9614(74)90119-0 10.1016/0021-9614(78)90078-2 10.1021/ie9708687 10.1016/0021-9614(86)90042-X 10.1080/00986440302156 10.1021/je00021a001 |
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| Keywords | Enthalpy of vaporization Wagner equation Liquid–vapour pressure Waring’s criteria Liquid-vapour pressure Vapor pressure Chemical compound Waring's criteria Heat of vaporization Thermodynamic properties |
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| Snippet | ► Simple methodology to estimate Wagner vapor pressure equation constants. ► Full range liquid-vapor pressure predictions from limited data. ► Constants... A methodology to determine the A, B, C, and D constants from the Wagner equation is presented. The constants for 274 pure substances were determined by... |
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| SubjectTerms | Chemical thermodynamics Chemistry Constants Critical pressure Deviation Enthalpy of vaporization Exact sciences and technology General and physical chemistry General. Theory Liquids Liquid–vapour pressure Mathematical analysis Methodology Vapor pressure Vapour pressure Wagner equation Waring’s criteria |
| Title | Wagner liquid–vapour pressure equation constants from a simple methodology |
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