Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/13348
Title: Development of multivariate methodologies for the determination of individual solute physico-chemical properties from multi-component solutions
Authors: MARTIN TJAHJONO
Keywords: Inverse Problems, Partial Molar Properties, Response Surface Methodology, On-line Measurements, In-situ Quantitative Spectroscopy, Dilute Solutions
Issue Date: 11-Sep-2007
Source: MARTIN TJAHJONO (2007-09-11). Development of multivariate methodologies for the determination of individual solute physico-chemical properties from multi-component solutions. ScholarBank@NUS Repository.
Abstract: Methodologies are developed for measuring density, refractive index, and relative permittivity of multi-component solutions and then determining the corresponding individual solute properties, without recourse to separate measurements of any pure substances, binary mixtures etc. From these measurements, the following solute properties were determined for some quaternary non-reactive and reactive systems (with non-isolatable species); partial molar volumes, partial molar refractions, electronic polarizabilities, molecular radii, partial molar polarizations and dipole moments. In addition, volumes of interaction were determined. Some theoretical and numerical developments include a method (1) to optimally distribute experimental points for the bulk property measurements (2) to cover the bulk observations with an appropriate response surface model and then extract the individual solute properties (3) to utilize the McMillan-Mayer model for multi-component solutions with self-consistent standard states and (4) to determine concentrations from in-situ quantitative infrared spectroscopy. These methodologies are applied to problems in organic, organometallic, aqueous chemistry, and isotopic labeling studies.
URI: http://scholarbank.nus.edu.sg/handle/10635/13348
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