Simulation de l'évaporation sur micro-ordinateur / Simulation of evaporation using micro-computers

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Abstract
Till now, programs simulating evaporation required powerful computers. Owing to several modifications, it is possible to implement such a program on a micro-computer, without sensible loss in accuracy. The principle remains the same : concentrations are calculated from a quadratic Taylor's expansion. The first and second order derivatives are obtained by solving two arrays of linear equations. The main modifications are : (1) A simplified treatment of the water budget : each elemental calculation step is monitored by a strictly fixed initial and final amount of water-solvent, and not by a little amount of evaporated water. This avoids making, among others, any corrections for the water used up by precipitating hydrated minerals. (2) Elemental mass-balance equations include complex species expressed only in terms of simple species. The total number of unknowns, and therefore the size of the linear equations set, are significantly reduced. (3) The introduction of a new unknown : the derivative of the ionic strength which makes the derivative of the activity coefficients much simpler. (4) The same matrix is used for both derivative calculations. Only the right-hand side vector is modified.

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