This research focuses on quantifying the physicochemical properties of custom sorbent materials to support ongoing sorbent design, synthesis and applications work. The sorbents may be absorbent or adsorbent in nature or a hybrid of the two classes. Examples include functionalized rubbery materials, metal inorganic framework and metal organic framework architectures, and viscous sorbents with strong hydrogen bonding properties. We seek to identify the properties of sorbent materials that augment their sorptivity and selectivity towards particular analyte molecules (including hazardous chemicals such as TICS, chemical agents and volatile explosives and related chemicals), with respect to background chemicals such as fuels and water. A further objective is to mitigate analyte bleed, improve sorption uptake kinetics and augment sorption capacity for chemicals of interest. Standard analytical techniques such as nuclear magnetic resonance spectroscopy, Matrix-Assisted Laser Desorption and Ionization, Fourier transform infrared spectroscopy, and less widely practiced techniques such as calorimetry, inverse gas chromatography and solvation equations will be used to establish and quantify the important interactions between sorbents and target chemicals. These empirical or semi-empirical measurements will be complemented by computational calculations for sorbent-sorbate interactions. This work will allow us to predict which sorbents are best suited for ongoing work with preconcentrator devices, micro gas analyzer devices including optically sensitive chemical sensing devices, and gas chromatographic columns.