New developments for the numerical analysis of spectrophotometric titrations

Spectrophotometric titrations are a valuable tool for the investigation of solution equilibria. Data acquisition and recent developments on methods fu r the analysis of the measurements are discussed in this contribution. Hard -modeling methods are based on non-linear least-squares fitting, and algori thms have been developed which can cope with the large amount of data and p arameters of multiwavelength or multivariate measurements. Good preliminary insight into the equilibria can be gained by soft-modeling methods. Neu fi rm-modeling methods are a compromise, combining advantages and disadvantage s of the hard- and soft-modeling approaches. (C) 1999 Elsevier Science Ltd. All rights reserved.