scholarly journals Data-driven discovery of multiscale chemical reactions governed by the law of mass action

2022 ◽  
Vol 448 ◽  
pp. 110743
Author(s):  
Juntao Huang ◽  
Yizhou Zhou ◽  
Wen-An Yong
2016 ◽  
Vol 44 (1) ◽  
pp. 1-28 ◽  
Author(s):  
Robert S. Eisenberg

Abstract The law of mass action does not force a series of chemical reactions to have the same current flow everywhere. Interruption of far-away current does not stop current everywhere in a series of chemical reactions (analyzed according to the law of mass action), and so does not obey Maxwell’s equations. An additional constraint and equation is needed to enforce global continuity of current. The additional constraint is introduced in this paper in the special case that the chemical reaction describes spatial movement through narrow channels. In that case, a fully consistent treatment is possible using different models of charge movement. The general case must be dealt with by variational methods that enforce consistency of all the physical laws involved. Violations of current continuity arise away from equilibrium, when current flows, and the law of mass action is applied to a non-equilibrium situation, different from the systems considered when the law was originally derived. Device design in the chemical world is difficult because simple laws are not obeyed in that way. Rate constants of the law of mass action are found experimentally to change from one set of conditions to another. The law of mass action is not robust in most cases and cannot serve the same role that circuit models do in our electrical technology. Robust models and device designs in the chemical world will not be possible until continuity of current is embedded in a generalization of the law of mass action using a consistent variational model of energy and dissipation.


2001 ◽  
pp. 121-128
Author(s):  
Bruce Hannon ◽  
Matthias Ruth

Author(s):  
Leonard Adleman ◽  
Manoj Gopalkrishnan ◽  
Ming-Deh Huang ◽  
Pablo Moisset ◽  
Dustin Reishus

1994 ◽  
pp. 73-79
Author(s):  
Bruce Hannon ◽  
Matthias Ruth

2021 ◽  
Author(s):  
Jinyun Tang ◽  
William Riley

<p>In ecosystem biogeochemistry, Liebig’s law of the minimum (LLM) is one of the most widely used rules to model and interpret biological growth. Although it is intuitively accepted as being true, its mechanistic foundation has never been clearly presented. We here first show that LLM can be derived from the law of mass action, the state of art theory for modeling biogeochemical reactions. We further show that there are (at least) another two approximations (the synthesizing unit (SU) model and additive model) that are more accurate than LLM in approximating the law of mass action. We then evaluated the LLM, SU, and additive models against growth data of algae and plants. For algae growth, we found all three models are equally accurate, albeit with different parameter values. For plants, LLM failed to accurately model one dataset, and achieved equally good results for other datasets with very different parameters. We also find that LLM does not allow flexible elemental stoichiometry, which is an oft-observed characteristic of plants, when an organism’s growth is modeled as a function of substrate uptake flux. In summary, we caution the use of LLM for modeling biological growth if one is interested in representing the organisms’ capability in adapting to different nutrient conditions.   </p> <p><br /><br /></p>


1938 ◽  
Vol 68 (1) ◽  
pp. 73-81 ◽  
Author(s):  
R. B. Pennell ◽  
I. F. Huddleson

It has been shown that the precipitation by the endoantigens of the three species of brucella of their homologous antibodies may be described by equations developed from the law of mass action. The endoantigens may be used for the accurate calibration of brucella antisera. The nitrogen-containing constituent of the endoantigens does not always seem to be intimately connected with the ability to precipitate the specific antibodies.


Soil Science ◽  
1944 ◽  
Vol 57 (5) ◽  
pp. 371-380 ◽  
Author(s):  
O. C. MAGISTAD ◽  
MILTON FIREMAN ◽  
BETTY MABRY

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