Accession Number : ADA288456

Title :   FREZCHEM: A Chemical-Thermodynamic Model for Aqueous Solutions at Subzero Temperatures,

Corporate Author : COLD REGIONS RESEARCH AND ENGINEERING LAB HANOVER NH

Personal Author(s) : Marion, Giles M. ; Grant, Steven A.

PDF Url : ADA288456

Report Date : JUL 1994

Pagination or Media Count : 40

Abstract : This report documents a FORTRAN version of the Spencer-Moller-Weare chemical thermodynamic model for aqueous electrolyte solutions at sub-zero temperatures (FREZCHEM). FREZCHEM is structured to predict the chemical composition and unfrozen water of aqueous solutions between -60 deg and +25 deg C at atmospheric pressure (0.101325 MPa). FREZCHEM includes two reaction pathways: freezing at variable temperature and fixed total water and evaporation at variable water and fixed temperature. Activity coefficients and the activity of water are calculated using the Pitzer equations, which are valid to high solution ionic strengths (approx. 20 mol k-1). Fifteen chloride and sulfate salts of sodium, potassium, calcium, and magnesium are included in the model. Predicted and experimental measurements of solute molalities and the unfrozen water fraction during sea water freezing are in good agreement. At -50 deg C, 0.3 % of sea water remains unfrozen with 99.7% of Na and 95.5% of Cl having precipitated into one of four salts. FREZCHEM should find many applications in physicochemical studies of aqueous solutions and freezing.

Descriptors :   *SOLUTIONS(MIXTURES), *FREEZING, *EVAPORATION, COMPUTER PROGRAMS, ALGORITHMS, ACTIVATION, EXPERIMENTAL DATA, THERMODYNAMICS, WATER, CHEMICAL COMPOSITION, FORTRAN, SOLUTES, CONCENTRATION(COMPOSITION), BAROMETRIC PRESSURE, CALCIUM COMPOUNDS, POTASSIUM CHLORIDE, SODIUM CHLORIDE, ELECTROLYTES, MAGNESIUM COMPOUNDS, PHYSICOCHEMICAL PROPERTIES, SALTS, SULFATES, LOW EMPERATURE.

Subject Categories : Physical Chemistry
      Computer Programming and Software

Distribution Statement : APPROVED FOR PUBLIC RELEASE