Getting Done with Input of Characterized Compositions

Getting Done with Input of Characterized Compositions

It is generally to be recommended to enter fluid compositions into PVTsim as either Plus or No Plus compositions for which types of compositions PVTsim will carry out a fluid characterization and establish all the component parameters needed in the subsequent PVT simulations.

If the fluid composition originates from another simulation program it will already be characterized. The composition data may for example consist of Mol %
Comp 1 Comp 2 . . . -

Tc
-

Pc
-

Mw
-

Cpen
-

This type of data may be entered into PVTsim by changing the Fluid type to Characterized.

When entering a characterized composition into PVTsim certain rules must be observed in order not to get useless or inconsistent results.

Choice of EOS
Make sure there is consistency between the EOS currently selected in PVTsim and the EOS used when the fluid was generated. PVTsim supports the following EOS's, all of which may be used with or without Peneloux volume correction.

SRK (Soave-Redlich-Kwong).

PR (Peng-Robinson 1976). PR78 (Peng-Robinson 1978).

These EOSs are outlined in the sections SRK Equation and PR/PR-78 Equation of the PVTsim Method Documentation.

Getting the most accurate Densities

If density is of importance, the EOS chosen must be used with Peneloux volume correction. The Peneloux volume correction is outlined in the sections SRK with Volume Correction and PR/PR-78 with Volume Correction of the PVTsim Method Documentation. The volume correction may either be assumed to be constant or a linear function of temperature.

To take advantage of the volume correction, the following parameters are required for all components: EOS variation SRK Peneloux PR Peneloux PR78 Peneloux SRK Peneloux (T) PR Peneloux (T) PR78 Peneloux (T) Parameters required Cpen SRK Cpen PR Cpen PR Cpen SRK and CpenT SRK Cpen PR and CpenT PR Cpen PR and CpenT PR

If CpenT is not defined (input field is blank) a value of 0.0 will be used.

Input of characterized pseudo-components

To make it possible to enter a characterized composition containing pseudo-components, a number of standard pseudo-components are made available in the component database. With the Fluid Type set to Characterized, press the <Add Comps> button. In the field Number of Pseudos enter the number of pseudos to add, and pseudo-components of the names CHCmp_1, CHCmp_2 and so on are added. Fill in the component properties for the actual pseudo-components. Be aware that the default molecular weights of 100 need to be changed.

Completion of Component Properties

To support the whole variety of simulation options in PVTsim, more component properties will generally be needed than that of the characterized fluid in the above example. To calculate for example enthalpy (H) and heat capacity (CP), 4 ideal gas CP coefficients are needed for each component. For defined components as for example methane (C1), the needed properties are drawn automatically from the PVTsim pure component database. This cannot be done for pseudo-components, for which missing component properties may instead be estimated from other component properties, using a so-called Complete option. The

Complete facility is described in the section Missing Properties of the PVTsim Method Documentation. The section Component Properties of the PVTsim Method Documentation contains references to sections describing the correlations used to estimate the component properties.

Completion of properties will not modify already entered component properties but only fill in gaps. The number of component properties that can be estimated depends on which component properties have been entered. Liquid densities are for example needed to estimate CP coefficients and Peneloux parameters, why it is highly recommended to enter liquid densities if available. Peneloux parameters may be used as input instead of densities, which enables the Complete option to estimate densities from Peneloux parameters.

Getting Consistency
To get consistent amounts and compositions the following must be the same

EOS Critical temperature (Tc) Critical temperature (Pc) Acentric factor () Omega A (a) Omega B (b) Mixing rule and interaction parameters.

To get consistent phase properties the parameters in the below tables will also have to be identical. LBC viscosity x x x CSP viscosity Thermal conductivity Surface tension x x

Parameter Cpen CpenT Vcrit CP coefficients LBC coefficients Mw (number average) Mw (weight average) Parachor

Density x x

x x x x x x x

Re-characterization as an Alternative
An alternative to entering the fluid as a characterized composition is to back-calculate the composition to a plus fraction composition and have PVTsim re-characterize the fluid. Formulas for back-calculating molecular weight and density are.

Mw(n) Plus = (Mw(n)*Mol%)/ (Mol%). Volume Plus = ((Mw(n)/Density)*Mol%)/ (Mol%). Density Plus = Mw(n) Plus/ Volume Plus.

The summation should run from the carbon number where the plus fraction shall start and on.

It may not produce results that are consistent with the characterized composition, but is often an attractive alternative if consistency with other programs is not a major issue.