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Ion Product of Pure Water Characterized by Physics-Based Water Model
Bin-bin Jie,Chihtang Sah
Author NameAffiliationE-mail
Bin-bin Jie Department of Physics, Xiamen University, Xiamen 361005, China bb_jie@msn.com 
Chihtang Sah Department of Physics, Xiamen University, Xiamen 361005, China;Chinese Academy of Sciences, Beijing 100864, China tom_sah@msn.com 
Abstract:
Pure water has been characterized for nearly a century, by its dissociation into hydronium (H3O)1+ and hydroxide (HO)1- ions. As a chemical equilibrium reaction, the equilibrium constant, known as the ion product or the product of the equilibrium concentration of the two ion species, has been extensively measured by chemists over the liquid water temper-ature and pressure range. The experimental data have been nonlinear least-squares fitted to chemical thermodynamic-based equilibrium equations, which have been accepted as the industrial standard for 35 years. In this study, a new and statistical-physics-based water ion product equation is presented, in which, the ions are the positively charged protons and the negatively charged proton-holes or prohols. Nonlinear least squares fits of our equation to the experimental data in the 0-100 ℃ pure liquid water range, give a factor of two better precision than the 35-year industrial standard.
Key words:  Solid state physics  Liquid state chemistry  Pure water  Ion product  Positive proton  Negative proton-hole or prohol
FundProject:
用水物理模型表征纯水离子积
揭斌斌,薩支唐
摘要:
纯水被描述为离解成水合氢离子(H3O)1+和氢氧根离子(HO)1-, 平衡常数在液态水的温度和压力范围内被称为离子积,即两种离子的平衡态浓度的乘积. 用非线性最小二乘法把实验数据拟合成基于化学热力学的平衡态方程. 本工作提出一个全新的、基于统计物理的水离子积方程,其中的离子为带正电的质子和带负电的质子空穴(质穴). 把0-100 ℃纯水的实验数据用非线性最小二乘法拟合的方程,给出的结果比35年工业标准更准确.
关键词:  固态物理  液态化学  纯水  离子积  正质子  负质子空穴(质穴)
DOI:10.1063/1674-0068/29/cjcp1507154
分类号: