To define the temperature and composition of solutions for initial and boundary solution composition. If Solution Compositions are used in HP1, a solution has to be defined in 'Definitions of Solution Compositions' of the GUI for each solution composition number defined in the project.
SOLUTION number [description]
temp
pe
pH
redox
units
density
-isotope
water
Element list, concentration, [units], ([as formula] or [gfw gfw]), [redox couple], [(charge or phase name [saturation index])]
number
|
Positive number to indicate the solution number. A range of numbers can be specified in the form m-n, where m and n are two positive integers and m < n. In HP1, the number refers either to the node number (number ≤ N for the mobile aqueous phase where N is the number of nodes in the discretization of the profile, and N+1 ≤ number ≤ 2N for the immobile aqueous phase). When the option In Solution Compositions is selected in the Solute Transport – HP2 Components dialog window, the number should refer to the solution compositions defined for the defined initial and boundary solutions.
|
description
|
(optional) A comment that describes the solution.
|
element list
|
An element name or a list of element valence states separated by white space. The element names and valence states must correspond to the first column in SOLUTION_MASTER_SPECIES
|
concentration
|
Concentration of element in solution. Input concentration unit is either the unit defined in units, the unit defined with the identifier -units, or the default units (mmol/kgw).
|
units
|
(optional) Input concentration unit for the element. If this is not specified, the unit defined by the identifier -units is used. If the identifier -units is not defined, the default unit is used (mmol/kgw).
|
as formula
|
(optional) When the input concentration is in mass units, the chemical formula will be used to calculate the gram formula weight to convert the mass units to mole units. If it is not specified, the gram formula weight, gfw, defined in SOLUTION_MASTER_SPECIES is used.
|
gfw gfw
|
(optional) When the input concentration is in mass units, the gfw will be used to convert the mass units to mole units. If it is not specified, the gram formula weight, gfw, defined in SOLUTION_MASTER_SPECIES is used.
|
Redox couple
|
(optional) Definition of redox is only needed for a total concentration of a redox active element or when different valence states of an element are specified in the element list. When a redox couple is specified for a given element list, the redox element from the element list will be in equilibrium with the in equilibrium with the specified redox couple. If it is not specified, the default redox couple defined by the identifier redox is used, or the defined pe will be used. Note that initial solutions do not have redox equilibrium. See redox for details on the definition of the redox couple.
|
Charge
|
(optional) This option will adjust the concentration of the element to achieve charge balance. It is only effective for elements with ionic species or that a charge balance can be achieved without removing all of the element. Charge can only be used one in a single solution definition; thus it is not possible to charge balance also another element or the pH.
|
Phase name
|
(optional) The concentration of the element will be adjusted to achieve a specified saturation index for a pure phase. Phase name can not be used when charge is specified for the element.
|
Saturation index
|
(optional) The concentration of the element will be adjusted to achieve the specified saturation index for the pure phase phase name. If this value is not specified and phase name is, then the default value of 0.0 is used.
|
|
Examples
• Rain water in equilibrium with the partial pressure of oxygen and carbon dioxide of the atmosphere (go to example)
Back to Keywords
