Kim, JH Min, BR Kim, CK Won, J Kang, YS 2024-01-21T10:32:51Z 2024-01-21T10:32:51Z 2021-09-01 2002-06-18 0024-9297 https://pubs.kist.re.kr/handle/201004/139432 The coordination behavior of silver ions dissolved in a polymer solvent is investigated to elucidate the facilitated transport phenomena in solid-state membranes. Silver polymer electrolyte membranes were prepared by dissolving AgCF(3)SO(3) in poly(2-ethyl-2-oxazoline) (POZ) or poly(N-vinylpyrrolidone) (PVP). The permeance and solubility of propylene in the silver polymer electrolyte increased slowly with silver ion concentration up to the silver mole fraction of 0.25 ([C=O]:[Ag] = 3:1), after which the permeance and solubility of propylene abruptly increased. Other properties such as the Bragg d spacing, glass transition temperature (T(g)), and propane permeance also showed marked changes at a silver mole fraction of 0.25. The existence of this threshold concentration is attributed to the following observations: (1) the most favorable coordination number for silver ions in polymer electrolytes under a propylene environment is 3, and (2) the coordination bond strength between silver ion and carbonyl oxygen is marginally stronger than that between silver ion and olefin molecule. As a result, it is proposed that silver ions can act as olefin carriers only when they have vacant coordination sites, i.e., only when the coordination number of silver ion for carbonyl oxygens is less than 3. Therefore, the silver ion coordination number is shown to have a strong bearing both on the activity of the silver ion as an olefin carrier and on the structure of polymer electrolytes. English AMER CHEMICAL SOC EFFECTIVE CORE POTENTIALS POLYMER ELECTROLYTES MOLECULAR CALCULATIONS POLY(PROPYLENE OXIDE) MEMBRANES COMPLEXATION DENSITY PROPYLENE NACF3SO3 SORPTION New insights into the coordination mode of silver ions dissolved in poly(2-ethyl-2-oxazoline) and its relation to facilitated olefin transport Article 10.1021/ma020179t 1 MACROMOLECULES, v.35, no.13, pp.5250 - 5255 MACROMOLECULES 35 13 5250 5255 scie scopus 000176215500053 2-s2.0-0037130025 Polymer Science Polymer Science Article EFFECTIVE CORE POTENTIALS POLYMER ELECTROLYTES MOLECULAR CALCULATIONS POLY(PROPYLENE OXIDE) MEMBRANES COMPLEXATION DENSITY PROPYLENE NACF3SO3 SORPTION