Matches in SemOpenAlex for { <https://semopenalex.org/work/W2896426570> ?p ?o ?g. }
- W2896426570 endingPage "15328" @default.
- W2896426570 startingPage "15319" @default.
- W2896426570 abstract "Polyelectrolytes may be classified into two primary categories (strong and weak) depending on how their charge state responds to the local environment. Both of these find use in many applications, including drug delivery, gene therapy, layer-by-layer films, and fabrication of ion filtration membranes. The mechanism of polyelectrolyte complexation is, however, still not completely understood, though experimental investigations suggest that entropy gain due to release of counterions is the key driving force for strong polyelectrolyte complexation. Here we perform a comprehensive thermodynamic investigation through coarse-grained molecular simulations permitting us to calculate the free energy of complex formation. Importantly, our expanded-ensemble methods permit the explicit separation of energetic and entropic contributions to the free energy. Our investigations indicate that entropic contributions indeed dominate the free energy of complex formation for strong polyelectrolytes, but are less important than energetic contributions when weak electrostatic coupling or weak polyelectrolytes are present. Our results provide a new view of the free energy of polyelectrolyte complex formation driven by polymer association, which should also arise in systems with large charge spacings or bulky counterions, both of which act to weaken ion-polymer binding." @default.
- W2896426570 created "2018-10-26" @default.
- W2896426570 creator A5012026163 @default.
- W2896426570 creator A5024146798 @default.
- W2896426570 creator A5054474532 @default.
- W2896426570 creator A5055360146 @default.
- W2896426570 date "2018-10-12" @default.
- W2896426570 modified "2023-10-12" @default.
- W2896426570 title "Role of Associative Charging in the Entropy–Energy Balance of Polyelectrolyte Complexes" @default.
- W2896426570 cites W1154627078 @default.
- W2896426570 cites W1554078579 @default.
- W2896426570 cites W1648814042 @default.
- W2896426570 cites W1773516564 @default.
- W2896426570 cites W1940459132 @default.
- W2896426570 cites W1965349716 @default.
- W2896426570 cites W1965592125 @default.
- W2896426570 cites W1966987311 @default.
- W2896426570 cites W1967547064 @default.
- W2896426570 cites W1968897789 @default.
- W2896426570 cites W1977949865 @default.
- W2896426570 cites W1978454275 @default.
- W2896426570 cites W1984039822 @default.
- W2896426570 cites W1987462275 @default.
- W2896426570 cites W1992821930 @default.
- W2896426570 cites W1993682006 @default.
- W2896426570 cites W1997612491 @default.
- W2896426570 cites W2002507860 @default.
- W2896426570 cites W2004369921 @default.
- W2896426570 cites W2005229258 @default.
- W2896426570 cites W2008731892 @default.
- W2896426570 cites W2010655741 @default.
- W2896426570 cites W2010706793 @default.
- W2896426570 cites W2011005325 @default.
- W2896426570 cites W2011764284 @default.
- W2896426570 cites W2012696888 @default.
- W2896426570 cites W2018828367 @default.
- W2896426570 cites W2019465613 @default.
- W2896426570 cites W2025679741 @default.
- W2896426570 cites W2029155752 @default.
- W2896426570 cites W2029721543 @default.
- W2896426570 cites W2032590393 @default.
- W2896426570 cites W2037194041 @default.
- W2896426570 cites W2040261391 @default.
- W2896426570 cites W2041255513 @default.
- W2896426570 cites W2042653839 @default.
- W2896426570 cites W2042821667 @default.
- W2896426570 cites W2042833351 @default.
- W2896426570 cites W2043341935 @default.
- W2896426570 cites W2059685664 @default.
- W2896426570 cites W2060491164 @default.
- W2896426570 cites W2064382347 @default.
- W2896426570 cites W2067630730 @default.
- W2896426570 cites W2068069887 @default.
- W2896426570 cites W2069996124 @default.
- W2896426570 cites W2070247422 @default.
- W2896426570 cites W2079003119 @default.
- W2896426570 cites W2080738820 @default.
- W2896426570 cites W2084424281 @default.
- W2896426570 cites W2084977829 @default.
- W2896426570 cites W2085672085 @default.
- W2896426570 cites W2094678459 @default.
- W2896426570 cites W2107660675 @default.
- W2896426570 cites W2125364971 @default.
- W2896426570 cites W2140480678 @default.
- W2896426570 cites W2146351653 @default.
- W2896426570 cites W2146969170 @default.
- W2896426570 cites W2150092048 @default.
- W2896426570 cites W2157512751 @default.
- W2896426570 cites W2166718121 @default.
- W2896426570 cites W2174999399 @default.
- W2896426570 cites W2256754192 @default.
- W2896426570 cites W2257654181 @default.
- W2896426570 cites W2270085459 @default.
- W2896426570 cites W2290387279 @default.
- W2896426570 cites W2291616496 @default.
- W2896426570 cites W2302551836 @default.
- W2896426570 cites W2307826508 @default.
- W2896426570 cites W2312232330 @default.
- W2896426570 cites W2312265047 @default.
- W2896426570 cites W2313208887 @default.
- W2896426570 cites W2316162609 @default.
- W2896426570 cites W2321501796 @default.
- W2896426570 cites W2323687909 @default.
- W2896426570 cites W2343295012 @default.
- W2896426570 cites W2393847261 @default.
- W2896426570 cites W2477019621 @default.
- W2896426570 cites W2490152473 @default.
- W2896426570 cites W2523765937 @default.
- W2896426570 cites W2566070701 @default.
- W2896426570 cites W2601253845 @default.
- W2896426570 cites W2609756698 @default.
- W2896426570 cites W2622517454 @default.
- W2896426570 cites W2725235027 @default.
- W2896426570 cites W2725950761 @default.
- W2896426570 cites W2736608697 @default.
- W2896426570 cites W2737334504 @default.
- W2896426570 cites W2742150634 @default.
- W2896426570 cites W2745595887 @default.