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Title: Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials

Abstract

A new formulation of the law of mass action is presented that uses chemical potentials instead of rate constants, potentially leading to large scale, physics-based simulations for metabolism and cellular simulations.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1573021
Report Number(s):
PNNL-SA-114146
Journal ID: ISSN 1478-3975
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Physical Biology (Online)
Additional Journal Information:
Journal Name: Physical Biology (Online); Journal Volume: 14; Journal Issue: 5; Journal ID: ISSN 1478-3975
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 60 APPLIED LIFE SCIENCES; reaction dynamics; reaction kinetics; thermodynamics; chemical potentials; modeling; simulation; differential equations; fluctuation therory; stochastic dynamics; markov models

Citation Formats

Cannon, William R., and Baker, Scott E. Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials. United States: N. p., 2017. Web. doi:10.1088/1478-3975/aa7d80.
Cannon, William R., & Baker, Scott E. Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials. United States. doi:10.1088/1478-3975/aa7d80.
Cannon, William R., and Baker, Scott E. Tue . "Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials". United States. doi:10.1088/1478-3975/aa7d80. https://www.osti.gov/servlets/purl/1573021.
@article{osti_1573021,
title = {Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials},
author = {Cannon, William R. and Baker, Scott E.},
abstractNote = {A new formulation of the law of mass action is presented that uses chemical potentials instead of rate constants, potentially leading to large scale, physics-based simulations for metabolism and cellular simulations.},
doi = {10.1088/1478-3975/aa7d80},
journal = {Physical Biology (Online)},
number = 5,
volume = 14,
place = {United States},
year = {2017},
month = {7}
}

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Free Publicly Available Full Text
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Cited by: 3 works
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