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

• Authors: Vladimir Gun’ko , Waldemar Tomaszewski , Tetyana Krupska , Konstantin Turov , Roman Leboda , Vladimir Turov
• Languages of publication: EN

Abstracts

EN

To 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.

Keywords

EN

Nitrocellulose; Adsorbed water; Co-adsorbed organic solvents; Residual nitric and sulfuric acids; Low-temperature 1H NMR spectroscopy

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2014
• Volume: 12
• Issue: 4
• Pages: 509-518

Dates

published

1 - 4 - 2014

online

16 - 1 - 2014

Contributors

author

Vladimir Gun’ko

• Chuiko Institute of Surface Chemistry

author

Waldemar Tomaszewski

• Warsaw University of Technology

author

Tetyana Krupska

• Chuiko Institute of Surface Chemistry

author

Konstantin Turov

• Institute of Bioorganic Chemistry and Petrochemistry

author

Roman Leboda

• Maria Curie-Skłodowska University

author

Vladimir Turov

• Chuiko Institute of Surface Chemistry

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Identifiers

DOI

10.2478/s11532-013-0397-y