Interfacial behavior of water bound to nitrocellulose containing residual nitric and sulfuric acids

Walter de Gruyter GmbH - 2014
Vladimir M. Gun’ko1, Waldemar Tomaszewski2, Т.V. Krupska3, Konstantin V. Turov4, Р. Лебода5, В.В. Туров3
11Chuiko Institute of Surface Chemistry
22Warsaw University of Technology
33Chuiko Institute of Surface Chemistry
44Institute of Bioorganic Chemistry and Petrochemistry
55Maria Curie-Skłodowska University

Tóm tắt

AbstractTo prepare nitrocellulose (NC), microcrystalline cellulose was treated in a mixture of nitric and sulfuric acids. Prepared NC containing a small amount of acids was studied at a different hydration degree (h = 10–1000 mg g−1) in different dispersion media (chloroform-d, acetone-d6 or their mixtures) using low-temperature 1H NMR spectroscopy. The hydration degree and the presence of residual acids affected the temperature dependence of the chemical shifts of proton resonance of water bound to NC. The Gibbs free energy of bound water became less negative with increasing hydration rate. The chloroform and acetone media affect the behavior of bound-to-NC water unfrozen at T<273 K differently. Quantum chemical calculations were performed using ab initio (HF/6-31G(d,p)), DFT (B3LYP/6-31G(d,p)) and semiempirical PM7 methods to analyze the interfacial behavior of water interacting with NC containing residual amounts of nitric and sulfuric acids.

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