NLDFT Analysis by SAIEUS program

Full standard version of SAIEUS program is now available from
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Interactive software for the analysis of adsorption data using NLDFT models.

The SAIEUS1 program (Solution of Adsorption Integral Equation Using Splines) provides smooth and noise free characteristics of the pore structure of porous materials analyzed by adsorption methods.

SAIEUS calculates the pore size distribution (PSD) of these materials from adsorption isotherms using NLDFT models in conjunction with automatic or user-selected conditions.

Two critical elements are necessary for the evaluation of a meaningful pore size distribution:

  1. A theoretical model (kernel) describing adsorption isotherms as a function of the pore size and pressure.

    The models available with this software were derived for several types of materials using one or two dimensional non local density functional theory (1D, 2D-NLDFT).

  2. A program that is designed to solve the adsorption integral equation (AIE) for the pore size distribution. Practically, the solution of AIE may be obtained by fitting the model to the experimental data.

    In SAIEUS program meaningful and stable results are obtained by employing a regularization method using non-negativity constraints2 combined with optimally minimizing the second derivative ("roughness") of the calculated distribution via the L-curve method3.

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