Right after charge harmony is attained the gypsum content is decided and taken off. The removing of equimolar contents of calcium and sulfate follows the assumption that gypsum is generally current in crystalline kind, which is necessary for the input date of ECOS/Runsalt. Consequently, it is sensible to assess the balance in between equally ions (after Eqs. four and five), as illustrated in Fig. 3. All sulfate and calcium ions not balanced, respectively appropriate and left from the determine, aren't connected with gypsum and belong to different combination types.
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When both of The 2 conditions comply, an equivalent adjustment to all ions is applied to get to charge stability, by:
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This price was picked to remove rounding glitches without implications to info interpretation. The anion and cation values soon after elimination of your theoretical gypsum content as mole portion (xi,adj) is decided by:
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