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电极/溶液界面单分子吸附层的巨正则系综统计处理

Statistical Mechanical Treatment of Absorbed Monolayer at E1ectrode/Solution Interface by Using Grand Canonical Ensemble
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摘要 应用巨正则系综统计法处理电极/溶液界面溶剂化层(内层)偶极取向分布,导出联系分子性质的内层微分电容(C_1(σ))统计表达式,并以汞/甲醇溶液体系为例验证结果.理论表明,C_1与溶剂化层总偶极涨落存在确定关系。 Based on the model presented in previous papers ̄[1~4],the statistical distribu-tions of dipole orientation of solvent molecules at electrode/solution interface were further treatedby using the method of grand cannonical ensemble. According to the grand canonical partitionfunction, the theoretic distribution functions of dipole orientation and the C_1(σ) equation werederived, which is used to simulate the variance of inner-layer differential capacity (C_1)with sur-face charge density(σ) for mercury/methanol solution interface as a typical example, A relation-ship between the C_1(σ) and the fluctuation of total dipole moment for a given system (solvatelayer) is suggested.
出处 《厦门大学学报(自然科学版)》 CAS CSCD 北大核心 1995年第5期747-751,共5页 Journal of Xiamen University:Natural Science
基金 国家自然科学基金
关键词 巨正则系统 电极 溶液 界面 微分电容 电化学 Grand canonical ensemble, Electrode/solution interface, Mercury/methanol solution system, Inner layer differential capacity
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