Effective potential approximation to reaction–diffusion kinetics in nonhomogeneous media: Micellar systems

1993 ◽  
Vol 99 (10) ◽  
pp. 7762-7767 ◽  
Author(s):  
A. V. Barzykin ◽  
M. Tachiya
Keyword(s):  
Effective Potential ◽  
Reaction Diffusion ◽  
Diffusion Kinetics ◽  
Potential Approximation ◽  
Nonhomogeneous Media ◽  
Micellar Systems ◽  
Effective Potential Approximation

Diffusion-Controlled Reactions in Micellar Systems

1994 ◽  
Vol 366 ◽  
Author(s):  
Masanori Tachiya ◽  
Alexander V. Barzykin
Keyword(s):  
Reaction Kinetics ◽  
Stochastic Theory ◽  
Micellar Solutions ◽  
Dynamic Information ◽  
Potential Approximation ◽  
Guest Molecules ◽  
Micellar Systems ◽  
Diffusion Controlled ◽  
Effective Potential Approximation ◽  
General Method

ABSTRACTReaction kinetics in micellar solutions are studied theoretically with an emphasis on diffusioncontrolled luminescence quenching. Different spatial arrangements of reactants within individual micelles are analyzed and a general method for treating diffusion-controlled reactions in a finite volume employing an effective potential approximation is developed. Several models are considered for the exchange of reactants between micelles including migration mediated by the bulk phase and successive multiparticle hopping through transient channels connecting micelles during their sticky collisions. These results are combined in a general stochastic theory of reaction kinetics in micellar solutions with exchange. The theory is further extended to reactions in clusters of micelles using a continuous time random walk approach. Once the principal features of micellar kinetics are understood, one can extract important structural and dynamic information on the aggregates and their guest molecules by analyzing suitably designed experiments.

scholarly journals Non-Arrhenius Reaction-Diffusion Kinetics for Protein Inactivation over a Large Temperature Range

ACS Nano ◽  
2019 ◽  
Vol 13 (8) ◽  
pp. 8669-8679 ◽  
Author(s):  
Daipayan Sarkar ◽  
Peiyuan Kang ◽  
Steven O. Nielsen ◽  
Zhenpeng Qin
Keyword(s):  
Reaction Diffusion ◽  
Large Temperature ◽  
Diffusion Kinetics ◽  
Temperature Range ◽  
Protein Inactivation

scholarly journals Multi-functionalization of nanoporous catalytic materials to enhance reaction yield: Statistical mechanical modeling for conversion reactions with restricted diffusive transport

2014 ◽  
Vol 1641 ◽  
Author(s):  
Jing Wang ◽  
Andrés Garcia ◽  
David M. Ackerman ◽  
Mark S. Gordon ◽  
Igor I. Slowing ◽  
...  
Keyword(s):  
Reaction Diffusion ◽  
Coarse Grained ◽  
Reaction Yield ◽  
Diffusion Kinetics ◽  
Reaction Products ◽  
Dehydration Reactions ◽  
Catalytically Active ◽  
Statistical Mechanical ◽  
And Diffusion ◽  
Reaction Equilibrium

ABSTRACTMulti-functionalization of catalytically-active nanomaterials provides a valuable tool for enhancing reaction yield by shifting reaction equilibrium, and potentially also by adjusting reaction-diffusion kinetics. For example, multi-functionalization of mesoporous silica to make the interior pore surface hydrophobic can enhance yield in dehydration reactions. Detailed molecular-level modeling to describe the pore environment, as well as the reaction and diffusion kinetics is challenging, although we briefly discuss current strategies. Our focus, however, is on coarse-grained stochastic modeling of the overall catalytic process for highly restricted transport within narrow pores (with single-file diffusion), while accounting for a tunable interaction of the pore interior with reaction products. We show that making the pore interior unfavorable to products can significantly enhance yield due to both thermodynamic and kinetics factors.

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