Molecular characterization of the surface excess charge layer in droplets.
Molecular characterization of the surface excess charge layer in droplets.
复制标题
液滴表面多余电荷层的分子表征。
DOI：
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发表时间：
2020
影响因子：
3.2
通讯作者：
S. Consta
中科院分区：
文献类型：
--
作者：
Victor Kwan;S. Consta
The surface excess charge layer (SECL) in droplets has often been associated with distinct chemistry. We examine the effect of the nature of ions in the composition and structure of SECL, by using molecular dynamics. We find that in the presence of simple ions the thickness of SECL is invariant not only with respect to droplet size but also with respect to the nature of the ions. In the presence of simple ions this layer has a thickness of $\approx 1.5-1.7$~nm but in the presence of macroions it may extend to $\approx 2.0$~nm. The proportion of ions contained in SECL depends on the nature of the ions and the droplet size. For the same droplet size, \ce{I-} and model \ce{H3O+} ions show considerably higher concentration than \ce{Na+} and \ce{Cl-} ions. We identify the maximum ion concentration region, which, in nanodrops, may partially overlap with SECL. As the relative shape fluctuations decrease when micro-drop size is approached, the overlap between SECL and maximum ion concentration region increases. We suggest the extension of the bi-layer droplet structure assumed in the equilibrium partitioning model of C.~Enke to include the maximum ion concentration region that may not coincide with SECL in nanodrops. We compute the ion concentrations in SECL, which are those that should enter the kinetic equation in the ion-evaporation mechanism, instead of the overall drop ion concentration that has been used.
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影响因子：
5.6
作者：
Noskov, Sergei Y.;Roux, Benoit
通讯作者：
Roux, Benoit
基于锚定的改进霍乱毒素和大肠杆菌不耐热肠毒素受体结合拮抗剂的设计，显示多种结合模式。
影响因子：
--
作者：
Pickens,JasonC;Merritt,EthanA;Ahn,Misol;Verlinde,ChristopheLMJ;Hol,WimGJ;Fan,Erkang
通讯作者：
Fan,Erkang
影响因子：
4.4
作者：
Grossfield, A
通讯作者：
Grossfield, A
影响因子：
7.4
作者：
Hogan, Christopher J., Jr.;Carroll, James A.;Rohrs, Henry W.;Biswas, Pratim;Gross, Michael L.
通讯作者：
Gross, Michael L.
影响因子：
7.4
作者：
Enke, CG
通讯作者：
Enke, CG