陈敏伯.化学通报,2016,79(3):196-204.
单靠实验数据统计拟合能逼近真理吗?——论“凭什么相信计算”之三
Could Truth be Approached by Fitting More Experimental Data Solely?——On
投稿时间:2015-09-25  修订日期:2015-10-22
DOI:
中文关键词:  唯象理论,实验数据拟合,气体状态方程,电负性,硬软酸碱理论
英文关键词:Phenomenological  theory, Fitting  experimental data, Equation  of state  of real  gas, Electronegativity, The  principle of  hard and  soft acids  and bases
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作者单位E-mail
陈敏伯* 中国科学院上海有机化学研究所 上海 200032 mbchen@mail.sioc.ac.cn 
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中文摘要:
      鉴于诸如物理有机化学领域改进Hammett方程等引起的学术争论,本文以气体状态方程、电负性和硬软酸碱原理为例,分析在科学求真道路上得到的教训和成功经验,说明单靠增加实验数据统计拟合来“改进”唯象理论、以期逼近真理的做法是没有根据的。历史上也没有成功的先例。这种做法在统计意义上是正确的,但与物理意义上的正确决不是一回事。
英文摘要:
      In face of the academic disputes such as various ways to improve the Hammett equation in physical organic chemistry, the history of searching scientific truth of three topics are analyzed, i.e. the equation of state of real gas, the electronegativity and the principle of hard and soft acids and bases. The conclusion is that in order to approach the truth, the phenomenological theory can not be improved further by fitting more experimental data solely, and there exists no one successful example in the history. The way successful in the sense of statistics is nothing to the correctness in the physical meaning.
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