0D Modeling of Reactor Networks Within Zuzax.

For complex reactions the optimal reactor networks can involve several reactors operating at various temperature profiles. The often-reported strategy of optimizing parameters of a heuristically predetermined reactor system (Super-structure Approach) falls short of obtaining true solution due to the presence of multiple local optima. Attainable set method gives Global optimum but requires study of each reaction scheme in depth. Here one such study using phase-plane analysis (instead of convexity based analysis) is reported for finding globally optimal non-isothermal reactor network for van de Vusse reaction (A -> B -> C, 2A -> D, objective is to maximize yield of B). Compared to two-reactor networks proposed earlier, it is found that up to 5 reactors (CSTR with/without bypass of feed, Isothermal PFR, Non-isothermal PFR, CSTR, Isothermal PFR) may be required to get the highest yield of the desired intermediate. The proposed method involves only elementary calculus. The detailed solution algorithm has been described using analogy with highways. Three cases with the values of reaction constants reported in the literature have been solved.

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SELF-ORGANIZING AGENT-BASED GRADE TRANSITION IN DISTRIBUTED CHEMICAL REACTOR NETWORKS

IFAC Proceedings Volumes ◽

10.3182/20070606-3-mx-2915.00148 ◽

2007 ◽

Vol 40 (5) ◽

pp. 179-184 ◽

Cited By ~ 1

Author(s):

M. Derya Tetiker ◽

Eric Tatara ◽

Michael North ◽

Fouad Teymour ◽

Ali Cinar

Keyword(s):

Chemical Reactor ◽

Agent Based ◽

Grade Transition ◽

Reactor Networks ◽

Self Organizing

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Minimum entropy generation for isothermal endothermic/exothermic reactor networks

AIChE Journal ◽

10.1002/aic.14598 ◽

2014 ◽

Vol 61 (1) ◽

pp. 103-117 ◽

Cited By ~ 6

Author(s):

Paul G. Ghougassian ◽

Vasilios Manousiouthakis

Keyword(s):

Entropy Generation ◽

Minimum Entropy ◽

Reactor Networks ◽

Minimum Entropy Generation

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Agent-Based Control of Spatially Distributed Chemical Reactor Networks

Engineering Self-Organising Systems - Lecture Notes in Computer Science ◽

10.1007/11734697_17 ◽

2006 ◽

pp. 222-231 ◽

Cited By ~ 5

Author(s):

Eric Tatara ◽

Michael North ◽

Cindy Hood ◽

Fouad Teymour ◽

Ali Cinar

Keyword(s):

Chemical Reactor ◽

Agent Based ◽

Spatially Distributed ◽

Reactor Networks

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Modelling the Effect of External Flue Gas Recirculation on NOx and CO Emissions in a Premixed Gas Turbine Combustor With Chemical Reactor Networks

Volume 4B: Combustion, Fuels, and Emissions ◽

10.1115/gt2018-76548 ◽

2018 ◽

Cited By ~ 1

Author(s):

V. Prakash ◽

J. Steimes ◽

D. J. E. M. Roekaerts ◽

S. A. Klein

Keyword(s):

Gas Turbine ◽

Flue Gas ◽

Recirculation Zone ◽

Chemical Reactor ◽

Inlet Temperature ◽

Part Load ◽

Flue Gas Recirculation ◽

Reactor Networks ◽

Gas Recirculation ◽

The Impact

The increasing amount of renewable energy and emission norms challenge gas turbine power plants to operate at part-load with high efficiency, while reducing NOx and CO emissions. A novel solution to this dilemma is external Flue Gas Recirculation (FGR), in which flue gases are recirculated to the gas turbine inlet, increasing compressor inlet temperature and enabling higher part load efficiencies. FGR also alters the oxidizer composition, potentially leading to reduced NOx levels. This paper presents a kinetic model using chemical reactor networks in a lean premixed combustor to study the impact of FGR on emissions. The flame zone is split in two perfectly stirred reactors modelling the flame front and the recirculation zone. The flame reactor is determined based on a chemical time scale approach, accounting for different reaction kinetics due to FGR oxidizers. The recirculation zone is determined through empirical correlations. It is followed by a plug flow reactor. This method requires less details of the flow field, has been validated with literature data and is generally applicable for modelling premixed flames. Results show that due to less O2 concentration, NOx formation is inhibited down to 10–40% and CO levels are escalated up to 50%, for identical flame temperatures. Increasing combustor pressure leads to a rise in NOx due to thermal effects beyond 1800 K, and a drop in CO levels, due to the reduced chemical dissociation of CO2. Wet FGR reduces NOx by 5–10% and increases CO by 10–20%.

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Synthesis of reactor networks in overall process flowsheets within multilevel MINLP approach

Computer Aided Chemical Engineering - European Symposium on Computer Aided Process Engineering-10 ◽

10.1016/s1570-7946(00)80165-0 ◽

2000 ◽

pp. 979-984

Author(s):

B. Pahor ◽

Z. Kravanja

Keyword(s):

Reactor Networks ◽

Process Flowsheets

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Modeling Water Treatment Reactor Hydraulics Using Reactor Networks

American Water Works Association ◽

10.1002/awwa.1071 ◽

2018 ◽

Vol 110 (8) ◽

pp. 13-29 ◽

Cited By ~ 3

Author(s):

Alexander S. Gorzalski ◽

Gregory W. Harrington ◽

Orlando Coronell

Keyword(s):

Water Treatment ◽

Reactor Networks

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Flow Field Derived Equivalent Reactor Networks for Accurate Chemistry Simulation in Gas Turbine Combustors

Volume 2: Combustion, Fuels and Emissions ◽

10.1115/gt2009-59861 ◽

2009 ◽

Author(s):

Scott A. Drennan ◽

Chen-Pang Chou ◽

Anthony F. Shelburn ◽

Devin W. Hodgson ◽

Cheng Wang ◽

...

Keyword(s):

Flow Field ◽

Gas Turbine ◽

Flame Structure ◽

Cost Effective ◽

Fuel Injector ◽

Accurate Analysis ◽

Detailed Chemistry ◽

Reactor Networks ◽

Detailed Kinetics ◽

Time Required

A method has been developed in which the flow field predicted by Computational Fluid Dynamics (CFD) is automatically condensed into an Equivalent Reactor Network (ERN), composed of well stirred reactors, allowing rapid and accurate analysis of emissions. This paper presents the effectiveness of utilizing an ERN that is a direct abstraction of the computational flow field for combustion analysis. The CFD results are divided into reactors using various filters on flow-field variables to construct an ERN that represents the 3-D combustor flow field and flame structure. Detailed kinetics can then be used in ERN simulations to analyze effects of fuel composition and operating condition on emissions. The technique is applied to a commercial industrial gas turbine combustor fuel injector and compared against experimental emissions results. Sensitivity of emissions predictions to different parameters in the network extraction is also presented. Parameter variations in fuel flow rate are applied to the ERN to obtain relative impacts of fuel-air ratio on the emissions of NOx without requiring new CFD solutions. This automatic approach has been found to reduce the time required to construct and analyze flow field derived ERNs with detailed chemistry by 90%. A local calculation of Damko¨hler number, important for stability analysis, is also presented. This calculation also uses abstracted information from the CFD flow field and detailed-kinetics simulations for more accurate, cost-effective analysis.

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