Physical Chemistry Models for Chemical Research in the XXth and XXIst Centuries

IF 3.7 Q2 CHEMISTRY, PHYSICAL
Josep M. Ribó*,  and , David Hochberg*, 
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引用次数: 0

Abstract

Thermodynamic hypotheses and models are the touchstone for chemical results, but the actual models based on time-invariance, which have performed efficiently in the development of chemistry, are nowadays invalid for the interpretation of the behavior of complex systems exhibiting nonlinear kinetics and with matter and energy exchange flows with the surroundings. Such fields of research will necessarily foment and drive the use of thermodynamic models based on the description of irreversibility at the macroscopic level, instead of the current models which are strongly anchored in microreversibility.

Abstract Image

二十世纪和二十一世纪化学研究的物理化学模型
热力学假设和模型是化学结果的试金石,但基于时间不变性的实际模型在化学发展过程中发挥了有效作用,如今却无法解释表现出非线性动力学以及与周围环境进行物质和能量交换流的复杂系统的行为。这些领域的研究必然会促进和推动基于宏观不可逆性描述的热力学模型的使用,而不是目前那些严重依赖于微观可逆性的模型。
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来源期刊
CiteScore
3.70
自引率
0.00%
发文量
0
期刊介绍: ACS Physical Chemistry Au is an open access journal which publishes original fundamental and applied research on all aspects of physical chemistry. The journal publishes new and original experimental computational and theoretical research of interest to physical chemists biophysical chemists chemical physicists physicists material scientists and engineers. An essential criterion for acceptance is that the manuscript provides new physical insight or develops new tools and methods of general interest. Some major topical areas include:Molecules Clusters and Aerosols; Biophysics Biomaterials Liquids and Soft Matter; Energy Materials and Catalysis
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