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This keyword data block is used to save the composition of a solution, exchange assemblage, gas phase, pure-phase assemblage, solid-solution assemblage, or surface assemblage following a batch-reaction calculation. The composition is stored internally in computer memory and can be retrieved subsequently with the USE keyword during the remainder of the computer run.

Example data block

Line 0a: SAVE equilibrium_phases 2
Line 0b: SAVE exchange 2
Line 0c: SAVE gas_phase 2
Line 0d: SAVE solid_solution 1
Line 0e: SAVE solution 2
Line 0f: SAVE surface 1


Line 0: SAVE keyword , number

SAVE is the keyword for the data block.

keyword --One of six keywords, exchange, equilibrium_phases, gas_phase, solid_solution, solution, or surface. Options for equilibrium_phases: equilibrium, equilibria, pure_phases, or pure.

number --User defined positive integer to be associated with the respective composition. A range of numbers may also be given in the form m-n , where m and n are positive integers, m is less than n , and the two numbers are separated by a hyphen without intervening spaces.


SAVE affects only the internal storage of chemical-composition information and has effect only for the duration of a run. To save results to a permanent file, see SELECTED_OUTPUT. The SAVE data block applies only at the end of batch-reaction calculations and has no effect following initial solution, initial exchange-composition, initial surface-composition, initial gas-phase-composition, transport, or inverse calculations. During batch-reaction calculations, the compositions of the solution, exchange assemblage, gas phase, pure-phase assemblage, solid-solution assemblage, and surface assemblage vary to attain equilibrium. The compositions which exist at the end of a simulation in temporary storage locations are overwritten by the next simulation. These compositions are not automatically saved; however, they may be saved explicitly for use in subsequent simulations within the run by using the SAVE keyword. The SAVE keyword must be used for each type of composition that is to be saved (solution, exchange assemblage, gas phase, pure-phase assemblage, solid-solution assemblage, or surface assemblage). SAVE assigns number to the corresponding composition. If one of the compositions is saved in a number that already exists, the old composition is deleted. There is no need to save the compositions unless they are to be used in subsequent simulations within the run. Transport calculations automatically save the results of calculations after each step and the SAVE keyword has no effect in these calculations. Amounts of kinetic reactions ( KINETICS) are automatically saved during all batch-reaction and transport calculations and can not be saved with the SAVE keyword. The USE keyword can be invoked in subsequent simulations to use the saved compositions in additional batch-reaction calculations.

Example problems

The keyword SAVE is used in example problems 3, 4, 7, 10, and 14.

Related keywords


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