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Vibrational Spectroscopic and Computational Studies on Bis(2-aminopyridinium)fumarate - Fumaric Acid (1:1) Complex

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Kanagathara N., Pawlus K., Marchewka M.
Acta Physica Polonica A
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2018
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vol. 133
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issue 1
45-56
EN
The new vibrational and computational studies on bis(2-aminopiridinium) fumarate - fumaric acid (1:1) complex have been made. The molecular geometry, vibrational frequencies and intensities of vibrational bands have been interpreted with the aid of structure optimization based on density functional theory (B3LYP) method with 6-311++G(d,p) basis set. The highly occupied-lowly unoccupied molecular orbital energies and chemical reactivity of the molecule have been calculated with time-dependent density functional theory approach. Stability energies of the molecule have been studied using natural bond orbital analysis. The predicted nonlinear optical properties of the title compound are much greater that those of urea. In addition, the molecular electrostatic potential surfaces and thermodynamic properties were calculated.
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Application of nanofiltration in the process of the separation of model fermentation broths components

86%
Staszak K., Woźniak M. J., Karaś Z., Staniewski J., Prochaska K.
Polish Journal of Chemical Technology
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2013
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vol. 15
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issue 4
1-4
EN
The effectiveness of nanofiltration with the use of ceramic membranes in the process of concentration and separation of fumaric acid or succinic acid from glycerol and citric acid from erythritol was evaluated. It was found that the retention of sodium salts of the acids investigated increased strongly with increasing the pH of the feed solution (depending on the degree of dissociation), while the retention degrees of di- and tricarboxylic acids, erythritol or glycerol were lower than 2%, irrespective of the initial concentration of the solution to be filtered. The results obtained showed that nanofiltration can be considered as one of the purification steps in the process of recovery of salts of organic acids from fermentation broth.
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