25.12.2012 Views

Aspen Physical Property System - Physical Property Models

Aspen Physical Property System - Physical Property Models

Aspen Physical Property System - Physical Property Models

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

Parameter Name Symbol No. of Elements Default Units<br />

Ionic Unary Parameters<br />

GMBPB1 � (1) 5 0 —<br />

Working Equations<br />

The complete Pitzer equation (Fürst and Renon, 1982) for the excess Gibbs<br />

energy is (see also equation 4):<br />

Where:<br />

G E<br />

88 2 Thermodynamic <strong>Property</strong> <strong>Models</strong><br />

= Excess Gibbs energy<br />

R = Gas constant<br />

T = Temperature<br />

nw = Kilograms of water<br />

zi = Charge number of ion i<br />

Where:<br />

= molality of ion i<br />

xi = Mole fraction of ion i<br />

xw = Mole fraction of water<br />

Mw = Molecular weight of water (g/mol)<br />

ni = Moles of ion i<br />

B, C, � and � are interaction parameters, and f(I) is an electrostatic term as<br />

a function of ionic strength; these terms are discussed in Pitzer Activity<br />

Coefficient Model, which has a detailed discussion of the Pitzer model.<br />

The C term and the � term are dropped from equation 1 to give the<br />

simplified Pitzer equation.<br />

Where:<br />

Bij = f(�ij (0) ,�ij (1) ,�ij (2) ,�ij (3) )<br />

(2)<br />

(1)

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!