Structure and dynamics of an aqueous solution containing poly-(acrylic acid) and non-ionic surfactant octaethylene glycol n-decyl ether (C10E8) aggregates and their complexes investigated by molecular dynamics simulations

Soft Matter ◽  
2021 ◽  
Author(s):  
Lakshmikumar Kunche ◽  
Upendra Natarajan
Keyword(s):  
Aqueous Solution ◽  
Acrylic Acid ◽  
Self Assembly ◽  
Md Simulation ◽  
Ionic Surfactant ◽  
Structure And Dynamics ◽  
Assembly Structure ◽  
Dynamics Simulations ◽  
Polar Polymer ◽  
Poly Acrylic Acid

A detailed MD simulation study of the self-assembly structure and thermodynamics of an aqueous solution containing non-ionic surfactant octa ethylene glycol n-decyl ether (C10E8) and non-ionic polar polymer poly(acrylic acid) PAA is presented.

scholarly journals Hydrophobically Functionalized Poly(Acrylic Acid) Comprising the Ester-Type Labile Spacer: Synthesis and Self-Organization in Water

Polymers ◽  
2020 ◽  
Vol 12 (5) ◽  
pp. 1185
Author(s):  
Łukasz Lamch ◽  
Sylwia Ronka ◽  
Izabela Moszyńska ◽  
Piotr Warszyński ◽  
Kazimiera A. Wilk
Keyword(s):  
Acrylic Acid ◽  
Self Assembly ◽  
Strong Dependence ◽  
Chemical Degradation ◽  
Self Organization ◽  
Hydrodynamic Diameter ◽  
Crucial Information ◽  
Dynamics Simulations ◽  
Chain Lengths ◽  
Poly Acrylic Acid

One of the most important properties of hydrophobically functionalized polyelectrolytes (HF-PEs) and their assemblies is their ability to encapsulate hydrophobic/amphiphilic agents and provide release on demand of the entrapped payload. The aim of the present work was to synthesize and study self-organization behavior in aqueous solution of hydrophobically functionalized poly(acrylic acid) (PAA) comprising the ester-type pH labile moiety with various degrees of hydrophobization and side-chain lengths in the absence and presence of appropriate mono- and polyvalent electrolytes (i.e., NaCl or CaCl2). The synthesis and purification of hydrophobically functionalized PAA were performed under mild conditions in order to avoid chemical degradation of the polymers. The modified polyelectrolytes self-assembly in aqueous systems was monitored using diffusion-ordered nuclear magnetic resonance (DOSY NMR). The performed studies, supported by the all-atoms molecular dynamics simulations, revealed a strong dependence of polyelectrolyte self-assembled state on concentration—specific concentration regions with the coexistence of both smaller and larger aggregates were observed (values of hydrodynamic diameter DH around one nanometer and between two to six nanometers, respectively). Our investigations enabled us to gain crucial information about the self-assembly of the hydrophobically functionalized poly(acrylic acid) and opened the possibility of understanding and predicting its performance under various conditions.

Preparing Chitosan-Poly(acrylic Acid) Composite Fibers by Self-Assembly at an Aqueous Solution Interface

2002 ◽  
Vol 72 (2) ◽  
pp. 120-124 ◽  
Author(s):  
Kousaku Ohkawa ◽  
Masayoshi Ando ◽  
Yoshiaki Shirakabe ◽  
Yae Takahashi ◽  
Masanori Yamada ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Acrylic Acid ◽  
Self Assembly ◽  
Composite Fibers ◽  
Solution Interface ◽  
Poly Acrylic Acid

scholarly journals Thermo-Responsive Behavior of Mixed Aqueous Solution of Hydrophilic Polymer with Pendant Phosphorylcholine Group and Poly(Acrylic Acid)

Polymers ◽  
2021 ◽  
Vol 13 (1) ◽  
pp. 148
Author(s):  
Hirokazu Fukumoto ◽  
Kazuhiko Ishihara ◽  
Shin-Ichi Yusa
Keyword(s):  
Aqueous Solution ◽  
Acrylic Acid ◽  
Solution Temperature ◽  
Interpolymer Complex ◽  
Mixed Aqueous Solution ◽  
Upper Critical Solution Temperature ◽  
Acidic Conditions ◽  
Decreasing Ph ◽  
Increasing Temperature ◽  
Poly Acrylic Acid

A mixed aqueous solution of hydrophilic poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC) and poly(acrylic acid) (PAAc) becomes cloudy under acidic conditions at room temperature. The pendant carboxylic acid groups in PAAc form hydrogen bonds with the ester and phosphate groups in PMPC. While the polymers aggregate under acidic conditions, neither one associate under basic conditions because of the deprotonation of the pendant carboxy groups in PAAc. We observed that the interpolymer complex formed from PMPC, and PAAc was dissociated in aqueous solutions with increasing temperature, which is an upper critical solution temperature behavior. With increasing temperature, the molecular motion increased to dissociate the interpolymer complex. The phase transition temperature increased with increasing polymer and salt concentrations, and with decreasing pH.

Synthesis of poly(methyl methacrylate)-b-poly(acrylic acid) by DPE method

e-Polymers ◽  
2008 ◽  
Vol 8 (1) ◽  
Author(s):  
Dong Chen ◽  
Ruixue Liu ◽  
Zhifeng Fu ◽  
Yan Shi
Keyword(s):  
Molecular Weight ◽  
Acrylic Acid ◽  
Methyl Methacrylate ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Gel Permeation Chromatography ◽  
Amphiphilic Diblock Copolymer ◽  
Poly Methyl Methacrylate ◽  
Copolymer Poly ◽  
Poly Acrylic Acid

AbstractAmphiphilic diblock copolymer poly(methyl methacrylate)-b-poly(acrylic acid) (PMMA-b-PAA) was prepared by 1,1-diphenylethene (DPE) method. Firstly, free radical polymerization of methyl methacrylate was carried out with AIBN as initiator in the presence of DPE, giving a DPE-containing PMMA precursor with controlled molecular weight. tert-Butyl acrylate (tBA) was then polymerized in the presence of the PMMA precursor, and PMMA-b-PtBA diblock copolymer with controlled molecular weight was prepared. Finally, amphiphilic diblock copolymer PMMA-b-PAA was obtained by hydrolysis of PMMA-b-PtBA. The formation of PMMA-b-PAA was confirmed by 1H NMR spectrum and gel permeation chromatography. Transmission electron microscopy and dynamic light scattering were used to detect the self-assembly behavior of the amphiphilic diblock polymers in methanol.

Determination of the complexation properties of a crosslinked poly(acrylic acid) gel with copper(II), nickel(II), and lead(II) in dilute aqueous solution

2001 ◽  
Vol 79 (4) ◽  
pp. 370-376 ◽  
Author(s):  
Catherine Morlay ◽  
Yolande Mouginot ◽  
Monique Cromer ◽  
Olivier Vittori
Keyword(s):  
Aqueous Solution ◽  
Ionic Strength ◽  
Acrylic Acid ◽  
Metal Ion ◽  
Conditional Stability ◽  
Binding Properties ◽  
Complex Species ◽  
Complexing Capacity ◽  
Dilute Aqueous Solution ◽  
Poly Acrylic Acid

The possible removal of copper(II), nickel(II), or lead(II) by an insoluble crosslinked poly(acrylic acid) was investigated in dilute aqueous solution. The binding properties of the polymer were examined at pH = 6.0 or 4.0 with an ionic strength of the medium µ = 0.1 or 1.0 M (NaNO3) using differential pulse polarography as an investigation means. The highest complexing capacity of the polyacid was obtained with lead(II) at pH = 6.0 with µ = 0.1 M, 4.8 mmol Pb(II)/g polymer. The conditional stability constants of the complex species formed were determined using the method proposed by Ruzic assuming that only the 1:1 complex species was formed; for lead(II) at pH = 6.0 and µ = 0.1 M, log K' = 5.3 ± 0.2. It appeared that the binding properties of the polymer increased, depending on the metal ion, in the following order: Ni(II) < Cu(II) < Pb(II). The complexing capacity and log K' values decreased with the pH or with an increase of the ionic strength. These results were in agreement with the conclusions of our previous studies of the hydrosoluble linear analogues. Finally, with the insoluble polymer, the log K' values were comparable to those previously obtained with the linear analogue whereas the complexing capacity values expressed in mmol g-1 were slightly lower.Key words: insoluble crosslinked poly(acrylic acid), copper(II), nickel(II), and lead(II) complexation.

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