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Predictions of Pair Interaction Potentials between Kraft Lignin Macromolecules in Black Liquors by Utilization of a Modified Poisson-Boltzmann Approach
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.ORCID iD: 0000-0002-2120-6513
2019 (English)In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 58, no 8, p. 3427-3439Article in journal (Refereed) Published
Abstract [en]

In this investigation, a modified Poisson-Boltzmann approach has been used to estimate the mean ion concentration distributions of ionic species present in black liquors around charged kraft lignin macromolecules at industrially relevant conditions. The distributions were utilized to predict the double layer repulsion and, further, predict the overall pair interaction potentials between two kraft lignin macromolecules or particles immersed in the black liquor electrolyte. The properties of softwood black liquors were used as input data to the model. The numerical results predicted the pair interaction potentials to remain repulsive up to salt concentrations of about 2.5 M at pOH 1. The critical coagulation concentration of salt was predicted to decrease as the pOH of the black liquor was increased. The predictions at 65 °C and moderate levels of pOH (3.5) and salt concentration (1.9 M) were found to be in good agreement with previous observations reported in the literature.

Place, publisher, year, edition, pages
American Chemical Society , 2019. Vol. 58, no 8, p. 3427-3439
Keywords [en]
Electrolytes, Ionic conduction, Lignin, Macromolecules, Poisson distribution, Critical coagulation concentration, Double-layer repulsion, Ion concentrations, Ionic species, Numerical results, Pair interaction potential, Poisson-Boltzmann approach, Salt concentration, Forecasting
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-248168DOI: 10.1021/acs.iecr.8b05929ISI: 000460199800075Scopus ID: 2-s2.0-85061544740OAI: oai:DiVA.org:kth-248168DiVA, id: diva2:1306849
Note

QC 20190425

Available from: 2019-04-25 Created: 2019-04-25 Last updated: 2019-04-25Bibliographically approved

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Theliander, Hans

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