AI 中文总结
研究利用可滴定聚合物接枝电极表面提高电容混合能量提取，通过巨正则蒙特卡罗模拟等方法，揭示离子吸附与电荷调节耦合效应，表明接枝电极能释放更多能量，建立废水中和收集电能方法，结合环境修复与能源回收。
AI 中文摘要
盐度梯度能为将离子化学势差转化为可用电能提供了一条可持续途径。电容混合无需膜就能实现这种转化，但电极界面处的离子调节有限。本文表明，通过用可滴定聚合物接枝电极表面，性能可大幅提高。利用具有精确镜像电荷埃瓦尔德求和的巨正则蒙特卡罗模拟，证明了如何利用离子吸附和响应外部电势的电荷调节的耦合效应。接枝电极相对于裸表面能释放更多能量，这受利用河流与海洋间典型pH差异的电荷调节效应驱动。虽然原则上在高接枝密度和中等链长时效果最佳，但在合理范围内，性能对这些参数的变化相当稳健。补充的经典聚合物密度泛函理论计算证实了这些趋势，验证了机理框架。这项工作还建立了一种在废水中和过程中收集电能的实用方法，其中酸性（或碱性）废水作为补充储能库，并提供了将环境修复与可再生能源回收相结合的有前景策略。
英文摘要
Salinity gradient energy offers a sustainable route to convert ionic chemical potential differences into usable power. Capacitive mixing enables this conversion without membranes, but suffers from limited ion regulation at electrode interfaces. Here we show that by grafting electrode surfaces with titrating polymers, the performance can be substantially improved. Using Grand Canonical Monte Carlo simulations with exact image-charge Ewald summations, we demonstrate how the coupled effects of ion adsorption and charge regulation in response to an external potential can be harnessed. Grafted electrodes are shown to deliver substantially more energy relative to bare surfaces, driven by charge regulation effects that exploit the pH difference that typically exists between rivers and the ocean. While the effect is in principle maximized at high grafting densities and moderate chain lengths, the performance is fairly robust to variations of these parameters, within reasonable bounds. Complementary classical polymer Density Functional Theory calculations confirm these trends, validating the mechanistic framework. This work also establishes a practical approach to harvest electrical energy during wastewater neutralization, where acidic (or alkaline) effluents serve as complementary reservoirs, and offers a promising strategy to couple environmental remediation with renewable energy recovery.
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