Regimes of chemical reaction waves initiated by nonuniform initial conditions for detailed chemical reaction models

2012 ◽  
Vol 85 (5) ◽  
Author(s):  
M. A. Liberman ◽  
A. D. Kiverin ◽  
M. F. Ivanov
2021 ◽  
Vol 11 (12) ◽  
pp. 5705
Author(s):  
Adrian Stuparu ◽  
Romeo Susan-Resiga ◽  
Alin Bosioc

The present study examines the possibility of using an industrial stirred chemical reactor, originally employed for liquid–liquid mixtures, for operating with two-phase liquid–solid suspensions. It is critical when obtaining a high-quality chemical product that the solid phase remains suspended in the liquid phase long enough that the chemical reaction takes place. The impeller was designed for the preparation of a chemical product with a prescribed composition. The present study aims at finding, using a numerical simulation analysis, if the performance of the original impeller is suitable for obtaining a new chemical product with a different composition. The Eulerian multiphase model was employed along with the renormalization (RNG) k-ε turbulence model to simulate liquid–solid flow with a free surface in a stirred tank. A sliding-mesh approach was used to model the impeller rotation with the commercial CFD code, FLUENT. The results obtained underline that 25% to 40% of the solid phase is sedimented on the lower part of the reactor, depending on the initial conditions. It results that the impeller does not perform as needed; hence, the suspension time of the solid phase is not long enough for the chemical reaction to be properly completed.


2021 ◽  
pp. 106964
Author(s):  
Hongbo Guo ◽  
Xiongbin Jia ◽  
Ningbo Zhao ◽  
Shuying Li ◽  
Hongtao Zheng ◽  
...  

Fuel ◽  
2021 ◽  
pp. 122599 ◽  
Author(s):  
Timothy I. Anderson ◽  
Anthony R. Kovscek

2020 ◽  
Vol 17 (166) ◽  
pp. 20190790 ◽  
Author(s):  
Samuel Clamons ◽  
Lulu Qian ◽  
Erik Winfree

Models of well-mixed chemical reaction networks (CRNs) have provided a solid foundation for the study of programmable molecular systems, but the importance of spatial organization in such systems has increasingly been recognized. In this paper, we explore an alternative chemical computing model introduced by Qian & Winfree in 2014, the surface CRN, which uses molecules attached to a surface such that each molecule only interacts with its immediate neighbours. Expanding on the constructions in that work, we first demonstrate that surface CRNs can emulate asynchronous and synchronous deterministic cellular automata and implement continuously active Boolean logic circuits. We introduce three new techniques for enforcing synchronization within local regions, each with a different trade-off in spatial and chemical complexity. We also demonstrate that surface CRNs can manufacture complex spatial patterns from simple initial conditions and implement interesting swarm robotic behaviours using simple local rules. Throughout all example constructions of surface CRNs, we highlight the trade-off between the ability to precisely place molecules and the ability to precisely control molecular interactions. Finally, we provide a Python simulator for surface CRNs with an easy-to-use web interface, so that readers may follow along with our examples or create their own surface CRN designs.


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