HLPWWW (Version 8.7d) JESS copyright (C) 1985-2018
Licensee : Webmaster, Murdoch University, Australia
Welcome. Monday, 21-Jan-19 22:24
 
A variety of JESS facilities exist to deal with the physicochemical
properties of electrolyte solutions. Such properties include solution
densities, heat capacities, activity coefficients, osmotic coefficients,
as well as solute properties such as molar volumes, apparent heat
capacities and solubilities. More than 50 different properties are
recognised.
 
Most of the data concern simple electrolytes, such as NaCl or KOH, but
mixed electrolyte solutions of two electrolytes are also covered. Data
are available for over 200 solutes (electrolytes and non-electrolytes).
 
 

The two most important JESS sub-systems dealing with physicochemical properties are FIZ (a database of property values from the chemical literature) and SIP (a database of Specific Interaction Parameters, mostly Pitzer equation coefficients). These databases can be inspected using the programs VEWFIZ and VEWSIP respectively. Other programs exist to manage these database, such as CHKFIZ, LODFIZ, and LSTFIZ or DMTSIP, MNTSIP, UPDSIP, etc. The general objective of the FIZ sub-system is to link the stored values for recognised solution properties to the particular (bulk) solute or solutes defining the solution and to the prevailing conditions of solute concentration, temperature and pressure. Comprehensive documentatiion on FIZ conventions and FIZ sequential file preparation is available (see 'FIZNAM.DOC'). You can display FIZ database values and graphs in Excel spreadsheets. We call this the '8-ball' facility, named after the icon we use to fire it up in Excel. Documentation on how to install this facility can be found in "JesDoc\Manuals\Developers\Excel Interface" (see file "Excel_notes.txt"). The SIP sub-system deals with thermodynamic coefficients for describing physicochemical properties (as a function of T,P,c conditions) using various models, such as Pitzer-type equations. These sets of coefficients can either have been taken directly from the literature or can have been determined by programs such as OPTSIP and FITSIP from the values stored in a FIZ database. The program SIMSIP allows users to calculate selected physicochemical properties as a function of specified conditions using a set of Pitzer equation coefficients stored (previously) in a SIP database. For a single point prediction (for a specified pressure, temperature and concentration of a given electrolyte) values are determined for the mean ionic activity coefficient, the water activity, the osmotic coefficient, the vapour pressure, the apparent molar relative enthalpy, the apparent molar heat capacities (Cp & Cv), the specific heat, the absolute solution density, the relative density difference (wrt H2O), the specific volume and the apparent molar volume. Alternatively, multiple point predictions can be made for a given set of P,T,c conditions and any one of the above properties.
You can obtain a variety of information about the properties of water using program TSTH2O. These properties include density, compressibility, expansivity, and the dielectric constant (i.e. the static permitivity) and the viscosity. You can also obtain values of the Debye-Hueckel parameters for given temperatures and pressures. Consult the description of the program by searching for "TSTH2O" (without quotes) to obtain further details. For information on the physicochemical properties of pure electrolyte solutions or of seawater consult the index searching for "electrolyte" or "sea".
You can obtain a variety of information about the properties of pure electrolyte solutions using program TSTBEL. These properties include the percentage saturation, density, osmotic coefficient, water activity, and a number of factors for converting concentration scales. Consult the description of the program by searching for "TSTBEL" (without quotes) to obtain further details. Note that the BEL sub-system data are generally inferior to those in the FIZ sub-system. They are currently in the process of being removed, in favour of an alternative approach based on FIZ and SIP. Information about the properties of seawater can be obtained from program "TSTSEA".
The following symbols are used ubiquitously g/L = weight in grams per litre of solution %w/w = weight % = g(solute)/100g(solution) %w/v = volume % = g(solute)/100mL(solution) M = molarity = mol/L(solution) m = molality = mol/kg(solvent) mol/kg = mol/kg(solution) X = mole fraction