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Excel Tool for Estimating Critical Properties

This document describes an Excel program developed by students to facilitate the estimation of critical properties like critical temperature, pressure, and volume using group contribution methods. The Excel sheets allow estimating these properties using four different group contribution methods (Lydersen, Joback, Ambrose, and Fedors) in a more efficient manner than doing it manually. For each method, the spreadsheet shows the atom or group contributions in columns. To estimate a property, the user only needs to input the number of groups and the critical property value is automatically calculated. The spreadsheets divide each method into tables summarizing group contributions and their experimental values, and a section to present the estimated critical property values.

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80 views2 pages

Excel Tool for Estimating Critical Properties

This document describes an Excel program developed by students to facilitate the estimation of critical properties like critical temperature, pressure, and volume using group contribution methods. The Excel sheets allow estimating these properties using four different group contribution methods (Lydersen, Joback, Ambrose, and Fedors) in a more efficient manner than doing it manually. For each method, the spreadsheet shows the atom or group contributions in columns. To estimate a property, the user only needs to input the number of groups and the critical property value is automatically calculated. The spreadsheets divide each method into tables summarizing group contributions and their experimental values, and a section to present the estimated critical property values.

Uploaded by

Elbahi Djaalab
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd

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net/publication/268443354

Excel program to facilitate the estimation of critical properties using group


contribution methods

Conference Paper · October 2011


DOI: 10.13140/2.1.1771.4881

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4 authors, including:

José Relinque Clara Pereyra


Universidad de Cádiz Universidad de Cádiz
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EXCEL PROGRAM TO FACILITATE THE ESTIMATION OF CRITICAL
PROPERTIES USING GROUP CONTRIBUTION METHODS

M. D. Gordillo, M. García, J. J. Relinque and C. Pereyra

Department of Chemical Engineering, Food Technology and Environmental Technologies


Faculty of Science, University of Cádiz, 11510 Puerto Real (Cádiz), Spain
Phone: +34 956 016 458 ; Fax: +34 956 016 411 ; E-mail: [email protected].

In the subject Applied Thermodynamic and Chemical Kinetic of Chemical Engineering Degree from University
of Cádiz (Spain), and inside the topic Volumetric Properties of Pure Fluids, the students need to estimate critical
properties of compounds to be able to use an equation of state (EOS) that describes the behavior of pure
compounds, among others. These properties are related to molecular structure, which determines the magnitude
and predominant type of intermolecular forces. The relevant characteristics of the structure are related to the
natures of the atoms, atomic groups, bond types, etc., and weighting factors are assigned to these variables and
the property determined, usually by means of an algebraic operation. For this reason, group contribution methods
are commonly used for the estimation of these unknown properties [1].

Still now, students estimate these properties manually using the equations and tables corresponding to every
group contribution method. But now, we have spreadsheets that allow estimating critical temperature (Tc),
critical pressure (Pc) and critical volume (Vc). In this work, we show spreadsheets in Excel program. These
spreadsheets have been developed by students, which are collaborators in this subject.

Critical parameters can be estimated by Lydersen, Joback, Ambrose and Fedors group contribution methods [1].
To employ some of these relations, the normal boiling point (T b) and the molecular weight (M) are needed and,
therefore, boiling temperature estimation (using group contribution methods) and the calculation of M also are
shown in two spreadsheets. Every group contribution method appears in a spreadsheet an inside this one, atoms
or groups of atoms and their contributions (Δi) are shown in columns. In the white column (see figure 1) the
number of different groups that form the substance are introduced and automatically the values of the critical
properties appear on the screen.

Figure 1: Spreadsheet. This belongs to Lydersen’s method.

References
[1] R. C. Reid; J. M. Prausnitz; B. E. Poling; The properties of gases and liquids; Fourth edition; McGraw-Hill,
1987.

Every sheet is divided into two main parts: A table were groups contribution are sumarized with its respective
experimental values; and another one dedicated to present estimations for critical properties.
To estimate a property is only necessary to introduce the number. All the calculus is automatic

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