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Showing 1 to 11 of 11 for “"Debye-Hückel"”.
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Corrections to the Debye-Hückel Theory
<p>The cluster expansion theory of Mayer is rearranged to obtain expressions for the potential of average force and the internal potential energy of the electron gas through order n<sup>3/2</sup> in the density n. The order n result for the potential of average force is applied to ionic solutions, …
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Weiterentwicklung eines auf der LIQUAC- und LIFAC-Methode basierenden Modells zur Berechnung von Salzlöslichkeiten in Lösungsmittelgemischen
… Annahmen zugrundeliegender Modelle, wie die Debye-Hückel-Theorie, ausführlich dargestellt. Weiterhin sind die Berechnungsmethoden unterschiedlicher thermodynamischer Eigenschaften von Elektrolytsystemen angegeben und die Ergebnisse des neuen Modells im Vergleich zu experimentellen Daten der …
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Prediction of electrolyte solution properties using a combined Debye-Huckel, association and solvation model
… long-range electrostatic ion-ion interaction (Debye- Hückel effects), short-range ion-ion interactions (ion association), and short-range ion-solvent interactions (hydration). The activity of water in NaCl, NaOH, and HCl solutions is fit with maximum deviations from experimental values of …
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In silicio Streckung und Kompaktierung von Chromatin
… Die DNS wird als flexible Polymerkette mit einer Debye-Hückel-Elektrostatik approximiert und basiert auf dem „Zwei-Winkel-Modell“. Nukleosomen werden durch oblate Ellipsoide repräsentiert, die bei physiologischer Salzkonzentration über ein attraktives Gay-Berne-Potential wechselwirken. Die …
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Transportkoeffizienten ionisierter Spezies in reaktiven Strömungen
… (Stockmayer-, Born-Mayer-, (n,6,4)- und Debye-Hückel-Potentiale) bzw. Wirkungsquerschnitten (Elektronen-Schwerteilchen-Stöße) berechnet. Inelastische Stöße, die Effekte des resonanten Ladungstransfers und ambipolare Prozesse finden Berücksichtigung. Kombinationsregeln werden benutzt, um …
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Irreversibilities and nonidealities in desalination systems
… comparing the ideal solution approximation, Debye-Hückel theory, Pitzer's ionic interaction model, and Pitzer-Kim's model for mixed electrolytes. Error introduced by using incorrect property models is quantified. Least work is a strong function of ionic composition; therefore, standard …
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Platination Kinetics: Insight Into Rna-Cisplatin Interactions As A Probe For Rna Microenvironments
… properties were evaluated using Brønsted-Debye-Hückel and polyelectrolyte theories. </p> <p>RNase T1 mapping with MALDI MS and dimethyl sulfate (DMS) probing revealed GpG sites as cisplatin targets on RNA. The DMS probing further revealed platination-induced structural changes in RNA. Both …
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Shock electrodialysis for water purification and electrostatic correlations in electrolytes
… solution in which the aim was to improve the Debye- Hückel theory for ionic activity to be able to more accurately predict the activity using a very simple model. In both systems, correlations proved to be important to varying degrees and the 4th-order equation proved to be useful in better …
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Modelling of colloidal dynamics in complex soft matter systems
… the attractive Lennard-Jones potential and the Debye-Hückel or Yukawa potential for charge-stabilized particles. The Brownian motion is also crucial in determining the aggregation behavior of colloidal particles: the mechanism proposed by Smoluchowski to study the collision rate between Brownian …
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On the Kinetics of Protein Misfolding and Aggregation
Protein (mis)folding into highly ordered, fibrillar structures, amyloid fibrils, is a hallmark of several, mainly neurodegenerative, disorders. The mechanism of this supra-molecular self-assembly reaction, as well as its relationship to protein folding are not well understood. In particular, the …