@article{sunderrajan_freeman_hall_pinnau_2001, title={Propane and propylene sorption in solid polymer electrolytes based on poly(ethylene oxide) and silver salts}, volume={182}, ISSN={["0376-7388"]}, DOI={10.1016/S0376-7388(00)00569-X}, abstractNote={The sorption of propylene and propane in solid polymer electrolytes based on blends of poly(ethylene oxide) (PEO) and silver nitrate, AgNO3, silver triflate, AgCF3SO3, silver trifluoroacetate, AgCF3CO2, or silver tetrafluoroborate, AgBF4, are reported. These solid polymer electrolytes exhibit preferential sorption for propylene over propane due to complexation of propylene with silver ions in the polymer matrix and reduced propane solubility in the solid polymer electrolyte films relative to that in PEO alone. The order of olefin solubility in blends containing 1 mol of silver ions per mole of ethylene oxide (EO) units is: AgBF4⪢AgCF3SO3>AgCF3CO2>AgNO3. At 35°C and 40 cmHg pressure, a PEO/AgBF4 film containing 1 mol of silver ions per mole of EO sorbed 5.3 g propylene but only 0.083 g propane per 100 g of solid polymer electrolyte. AgBF4 is highly soluble in PEO and completely disrupts polymer crystallinity even at low salt concentration (approximately 10 wt.%) without significantly altering the glass transition temperature. Other silver salts (e.g. AgNO3) do not dissolve completely in PEO and are much less effective at promoting enhanced olefin solubility.}, number={1-2}, journal={JOURNAL OF MEMBRANE SCIENCE}, author={Sunderrajan, S and Freeman, BD and Hall, CK and Pinnau, I}, year={2001}, month={Feb}, pages={1–12} }
 @article{sunderrajan_freeman_hall_1999, title={Fourier transform infrared spectroscopic characterization of olefin complexation by silver salts in solution}, volume={38}, ISSN={["0888-5885"]}, DOI={10.1021/ie9900667}, abstractNote={Complex formation between 1-hexene and silver salts in chloroform solution has been characterized using Fourier transform infrared spectroscopy. Silver tetrafluoroborate, AgBF4, and silver triflate, AgCF3SO3, form 1:2 Ag+:1-hexene complexes in solution. The olefinic CC vibrational stretching frequency at 1640 cm-1 in 1-hexene shifts to approximately 1580 cm-1 upon complexation with these silver salts. Silver trifluoroacetate, AgCF3CO2, exhibits limited complexation and silver nitrate, AgNO3, exhibits no measurable complexation. Salts with the larger BF4- and CF3SO3- anions have a much stronger tendency to form complexes than those with the smaller NO3- and CF3CO2- anions. The tendency of these salts to form complexes in solution was most strongly correlated with anion size and was not well-correlated with measures of anion-donor electron density or softness parameter. The effect of ether-containing compounds, such as triethylene glycol (TEG) and poly(ethylene glycol) (PEG), on the silver−olefin interactio...}, number={10}, journal={INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH}, author={Sunderrajan, S and Freeman, BD and Hall, CK}, year={1999}, month={Oct}, pages={4051–4059} }
 @article{sunderrajan_hall_freeman_1997, title={Chemical potential gradient driven permeation of small molecules through polymeric media}, volume={107}, ISSN={0021-9606 1089-7690}, url={http://dx.doi.org/10.1063/1.475221}, DOI={10.1063/1.475221}, abstractNote={Grand canonical molecular dynamics techniques are used to study small molecular penetrant permeation through polymeric media. Penetrants are modeled as hard spheres and square-well spheres. The polymer is modeled as a collection of hard chains and square-well chains. Glassy polymers are modeled using stationary chains while rubbery polymers are modeled using mobile chains. Facilitated transport polymers are also modeled by varying the square-well depth for specific sites along polymer chains. Penetrant partitioning, mutual diffusivity, solubility, and permeability (taken to be a product of diffusivity and solubility) are calculated as a function of reservoir chemical potential, barrier mobility, and, for the facilitating polymer case, the strength of the penetrant/facilitating site attraction. Penetrant diffusivity, solubility, and hence permeability are greater in a mobile barrier than in a stationary barrier. Diffusivity decreases and solubility increases upon the addition of facilitating sites to the barrier or upon increasing the strength of the penetrant/facilitating site attraction. Permeability decreases in these cases, contradicting our expectations concerning the phenomenon of facilitated transport. Comparisons are made between the permeation results presented here and experimental facilitated transport systems.}, number={24}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Sunderrajan, Suresh and Hall, Carol K. and Freeman, Benny D.}, year={1997}, month={Dec}, pages={10714–10722} }
 @article{sunderrajan_hall_freeman_1997, title={Sorption isotherms for spherical penetrants in facilitating polymeric media using Monte Carlo simulations}, volume={92}, ISSN={["0026-8976"]}, DOI={10.1080/002689797170671}, abstractNote={Grand canonical ensemble Monte Carlo simulations of penetrant sorption in polymeric media have been used to predict sorption isotherms as a function of polymer–penetrant interactions. The polymer is modelled as a collection of hard chains and as a collection of square-well chains, while the penetrant is modelled as hard spheres and as square-well spheres. Partition coefficients have been compared for the different potentials of interaction for stationary and moving polymeric media. Partition coefficients are found to increase with increasing reservoir penetrant pressure and to be higher in moving polymeric media than in stationary polymeric media. Partitioning was studied also as a function of concentration of facilitating sites which have an increased affinity for penetrants. Partition coefficients increased with increasing concentration of facilitating sites. The presence of a second penetrant species of normal affinity is found to affect the partitioning of species with a special affinity for facilitat...}, number={1}, journal={MOLECULAR PHYSICS}, author={Sunderrajan, S and Hall, CK and Freeman, BD}, year={1997}, month={Sep}, pages={109–116} }