Journal ArticleDOI
Structure and dynamics of atactic Na+-poly(acrylic) acid (PAA) polyelectrolyte in aqueous solution in dilute, semi-dilute and concentrated regimes
TLDR
In this paper, structural and dynamic properties of aqueous solution of atactic poly(acrylic) acid in dilute, semi-dilute and concentrated regimes were studied by fully atomistic molecular dynamics simulati...Abstract:
Structural and dynamic properties of aqueous solution of atactic poly(acrylic) acid (PAA) in dilute, semi-dilute and concentrated regimes were studied by fully atomistic molecular dynamics simulati...read more
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Role of electrostatic interactions in charge regulation of weakly dissociating polyacids
Mohsen Ghasemi,Ronald G. Larson +1 more
TL;DR: In this paper, the authors investigate theoretically charge regulation of weakly dissociating polyacids by potentiometric titration of their aqueous solutions, by treating deprotonation and cation binding to the polyacid as reversible reactions in their model, the ionization constant of acid groups along the polyacid chain is adjusted from its intrinsic value by electrostatic correlations.
Journal ArticleDOI
Effect of Polymer Concentration on the Structure and Dynamics of Short Poly(N, N-dimethylaminoethyl methacrylate) in Aqueous Solution : A Combined Experimental and Molecular Dynamics Study
Dimitris G. Mintis,Marco Dompé,Marleen Kamperman,Vlasis G. Mavrantzas,Vlasis G. Mavrantzas,Vlasis G. Mavrantzas +5 more
TL;DR: It is observed that at low polymer concentrations PDMAEMA chains adopt a stiffer and slightly extended conformation due to excluded-volume effects and electrostatic repulsions within the polymer chains, as the polymer concentration increases above 20 wt %, and adopt more flexible conformations.
Posted Content
Diffusion and viscosity of non-entangled polyelectrolytes
TL;DR: In this paper, the authors reported self-diffusion and viscosity data for sodium polystyrene sulfonate (NaPSS) in semidilute salt-free aqueous solutions measured by pulsed field gradient NMR and rotational rheometry respectively.
Journal ArticleDOI
Factors Responsible for the Aggregation of Poly(vinyl alcohol) in Aqueous Solution as Revealed by Molecular Dynamics Simulations
TL;DR: Molecular dynamics simulations are used to study structure and dynamics of poly(vinyl alcohol) and water in aqueous solution as a function ofconcentration at different temperatures in the range 278.
References
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Journal ArticleDOI
Microporous polypropylene hollow fiber membranes: Part II. Pervaporation separation of water/ethanol mixtures by the poly(acrylic acid) grafted membranes
TL;DR: In this article, the effects of grafting degree of poly(acrylic acid) (PAA), the cross-linking degree of the grafted-PAA, the sodium counter-ions as well as the operation temperature and the ethanol concentration in feed mixtures on pervaporation properties were investigated.
Journal ArticleDOI
Scaling relations for aqueous polyelectrolyte-salt solutions. 1. Quasi-elastic light scattering as a function of polyelectrolyte concentration and molar mass
R. S. Koene,Michel Mandel +1 more
Journal ArticleDOI
Various Types of Hydrogen Bonds, Their Temperature Dependence and Water−Polymer Interaction in Hydrated Poly(Acrylic Acid) as Revealed by 1H Solid-State NMR Spectroscopy
Baohui Li,Lu Xu,Qiang Wu,Tiehong Chen,Pingchuan Sun,Qinghua Jin,Datong Ding,Wang Xiaoliang,Gi Xue,An-Chang Shi +9 more
TL;DR: The 1H CRAMPS NMR methods are based on a recently developed continuous phase modulation technique for 1H−1H homonuclear dipolar decoupling as discussed by the authors.
Journal ArticleDOI
High concentration crossovers of polyelectrolyte solutions
TL;DR: In this article, solutions of sodium poly(styrene sulfonate) are studied at various concentrations ranging from the semidilute regime to the bulk through the concentrated regime using small-angle and intermediate-angle x-ray scattering techniques.
Journal ArticleDOI
Conformational characteristics of polystyrene
Roland F. Rapold,Ulrich W. Suter +1 more
TL;DR: In this article, the conformational energies of meso and racemic 2,4-diphenylpentane as model substances of polystyrene have been computed as functions of the skeletal torsion angles and the phenyl torsions angles.