Role of neutral and non-hard sphere interaction in differential capacitance of electrical double-layer
Role of neutral and non-hard sphere interaction in differential capacitance of electrical double-layer
复制标题
中性球和非硬球相互作用在双电层微分电容中的作用
DOI：
10.1016/j.molliq.2019.111620
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发表时间：
2019-12
期刊：
影响因子：
--
通讯作者：
S. Zhou
中科院分区：
文献类型：
--
作者：
S. Zhou
结合经典密度泛函理论，采用扩展的原始模型和溶剂原始模型，研究了溶剂粒度、体积浓度、反离子直径、中性非硬球（HS）势、离子种类间、溶剂与反离子（和共离子）间的αβ（r）对圆柱孔内双电层微分电容Cd的影响.得出了几个主要结论。(i)2016年08月08日第10届中国国际汽车工业展览会（|σ|）曲线通常由于溶剂粒度的考虑而上升。(ii)吸引的尾_αβ（r）有助于提高Cd曲线，而排斥的尾_αβ（r）则倾向于降低Cd曲线。此外，当|σ|当吸引力_α β（r）减小或变为排斥力时，它会逐渐消失。(iii)CD-|σ|增大反离子与溶剂间的排斥力会使Cd-2的吸附曲线升高，但反离子的直径和体积浓度都会引起Cd-2吸附曲线的明显变化|σ∗|曲线形态学具体地说，Cd峰高和峰位随反离子尺寸的减小而增大。此外，改变溶剂与反离子的余αβ（r）由吸引变为排斥，有利于从钟形曲线过渡到骆驼形曲线。(iv)影响Cd曲线的所有因素的影响随着时间的推移而逐渐减弱。|σ|.上述观察结果可以通过考虑溶剂引起的电子耗尽势及其随体系参数的变化来解释。
Classical density functional theory is combined with the extended primitive model and solvent primitive model to investigate how differential capacitanceCdof electrical double-layer formed inside cylindrical pore is influenced by solvent granularity, bulk concentration, counter-ion diameter, and neutral and non-hard sphere (HS) potentialutail_αβ(r) between ion species, between solvent and counter-ion (and co-ion). Several main conclusions are drawn. (i) TheCd−surface charge strength (|σ|) curve generally rises as a result of consideration of the solvent granularity. (ii) An interionic attractiveutail_αβ(r) helps in raising theCdcurve whereas a repulsiveutail_αβ(r) tends to lower theCdcurve. Moreover, a secondaryCdpeak appears when |σ| increases to an appropriately large value, and becomes increasingly evident with the strength of the attractiveutail_αβ(r) and eventually disappears as the attractiveutail_αβ(r)reduces in attraction or changes into repulsion at all. (iii) TheCd− |σ| curve is raised by increasing the repulsion between the solvent and counter-ion; however, both counter-ion diameter and bulk concentration cause obvious changes of theCd− |σ∗| curve morphology. Concretely speaking, theCdpeak height and the peak position rise with the counter-ion size decreasing. Moreover, changing theutail_αβ(r) between solvent and counter-ion from attraction to repulsion facilitates a transition from bell-shaped curve to camel-shaped curve. (iv) Effects of all of the factors considered in influencing theCdcurve diminish increasingly with |σ|. All of the above observations can be explained by considering the interionic depletion potential induced by the solvent and its changes with the system parameters.
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DOI：
10.1063/1.4918640
发表时间：
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期刊：
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影响因子：
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作者：
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DOI：
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发表时间：
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期刊：
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影响因子：
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作者：
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发表时间：
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