Response reactions: definition, derivation and classification based on the composition of the participating species
文献信息
An interpretive concept has recently been published to rationalize the changes generated by the change of control parameters (pressure, temperature, composition) in complex equilibrium systems. It was proven that all of the sensitivity coefficients (and many other thermodynamically important quantities) may be split into terms which are uniquely assigned to the so-called response reactions (RERs). RERs were defined by the missing species and their derivation was based on the stoichiometrically independent reactions (SIRs). In this paper we redefine RERs with the help of the participating species and derive them from the composition of the participating species. This new way of definition and derivation leads to the classification of RERs, which was not possible before and helps to understand the underlying chemistry of governing and regulating the equilibrium systems. The formulae are presented in general form, but some examples are also given to rationalize their meaning.
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来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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