Fast arbitrary order moments and arbitrary precision solution of the general rate model of column liquid chromatography with linear isotherm

• Arbitrary precision reference solutions of the general rate model with linear isotherm.
• Mathematically proven error bounds.
• Arbitrary order moments of the general rate model with linear isotherm.
• Generalized inlet concentration profiles.
• Algorithms and software freely available as open source.

Algorithms and software are presented for efficiently computing reference solutions of the general rate model with proven error bounds. Moreover, algorithms and software are presented for efficiently computing moments of arbitrary order. The methods are based on numerical inverse Laplace transform, and support both quasi-stationary and dynamic linear binding models. The inlet concentration profiles are treated in a most general way using piecewise cubic polynomials. Algorithmic differentiation obviates manual derivation of the required derivatives. Arbitrary precision arithmetics are applied for minimizing numerical roundoff errors, and several convergence acceleration techniques are evaluated. The implemented software package is freely available as open source on GitHub.