Structure and dynamics of atactic Na+-poly(acrylic) acid (PAA) polyelectrolyte in aqueous solution in dilute, semi-dilute and concentrated regimes
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"Structure and dynamics of atactic N..." refers result in this paper
...Our results are also in agreement with the experimental calorimetric measurements of atactic PAA in dilute aqueous solution which showed that the enthalpy of dissociation becomes more negative with increase in degree-of-neutralisation of PAA [91]....
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50 citations
"Structure and dynamics of atactic N..." refers background in this paper
...For this chain length of PAA periodic box size 8 nm chosen for our simulations meets the necessary condition L > 5Rg for the counter-ions to not interact with their images [66]....
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49 citations
"Structure and dynamics of atactic N..." refers background or methods or result in this paper
...The observed trend of the decrease in R with fp at f = 1, is in qualitative agreement with results of Brownian Dynamics simulations available in the literature [6]....
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...The shift of peak position qmax to higher values of the wave vector, with increase in polymer concentration, has been shown by coarsegrained Brownian dynamics simulations [6]....
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...When the crossover concentration from semidilute to concentrated regime approaches, the diffusion mechanism of PAA is accompanied by short-ranged intermolecular interaction due to close packing of PAA and Na counter-ions, and thus self-diffusion coefficient of PAA decreases [6]....
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...ent with the observation from earlier work in the literature [6] using Brownian dynamic simulation of model polyelectrolytes...
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...Our results are also in qualitative agreement with earlier work on model polyelectrolytes in solution in the semi-dilute regime [6]....
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48 citations