Monte Carlo adiabatic simulation of equilibrium reacting systems: The ammonia synthesis reaction

2005 ◽  
Vol 235 (1) ◽  
pp. 50-57 ◽  
Author(s):  
Martin Lísal ◽  
Magdalena Bendová ◽  
William R. Smith
Keyword(s):  
Monte Carlo ◽  
Ammonia Synthesis ◽  
Synthesis Reaction ◽  
Reacting Systems

scholarly journals A Novel Kinetic Modeling Framework for the Polycondensation of Sugars Using Monte Carlo and the Method of Moments

Processes ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 745
Author(s):  
Dimitrios Meimaroglou ◽  
Sandrine Hoppe ◽  
Baptiste Boit
Keyword(s):  
Monte Carlo ◽  
Kinetic Modeling ◽  
Method Of Moments ◽  
Kinetic Monte Carlo ◽  
Kinetic Scheme ◽  
Modeling Framework ◽  
Industrial Sectors ◽  
The Monte Carlo Method ◽  
Reacting Systems ◽  
High Degree

The kinetics of the hydrolysis and polycondensation reactions of saccharides have made the subject of numerous studies, due to their importance in several industrial sectors. The present work, presents a novel kinetic modeling framework that is specifically well-suited to reacting systems under strict moisture control that favor the polycondensation reactions towards the formation of high-degree polysaccharides. The proposed model is based on an extended and generalized kinetic scheme, including also the presence of polyols, and is formulated using two different numerical approaches, namely a deterministic one in terms of the method of moments and a stochastic kinetic Monte Carlo approach. Accordingly, the most significant advantages and drawbacks of each technique are clearly demonstrated and the most fitted one (i.e., the Monte Carlo method) is implemented for the modeling of the system under different conditions, for which experimental data were available. Through these comparisons it is shown that the model can successfully follow the evolution of the reactions up to the formation of polysaccharides of very high degrees of polymerization.

scholarly journals Solution Combustion Synthesis of Fe2O3-Based Catalyst for Ammonia Synthesis

Catalysts ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 1027
Author(s):  
Binxiang Cai ◽  
Huazhang Liu ◽  
Wenfeng Han
Keyword(s):  
Combustion Synthesis ◽  
Reaction Rate ◽  
Ammonia Synthesis ◽  
Fixed Bed ◽  
Solution Combustion Synthesis ◽  
Fixed Bed Reactor ◽  
High Dispersion ◽  
Synthesis Reaction ◽  
Solution Combustion ◽  
Metal Nitrates

Fe2O3-based catalysts were prepared by solution combustion synthesis (SCS) with metal nitrates (Fe, K, Al, Ca) as the precursors and glycine as the fuel. The activities of catalysts were evaluated in terms of ammonia synthesis reaction rate in a fixed bed reactor similar to the industrial reactors. The results indicate that the precursor of catalyst prepared by SCS is Fe2O3 which facilitates the high dispersion of promoters to provide high activity. The catalysts exhibit higher activity for ammonia synthesis than that of traditional catalysts, and the reaction rate reaches 138.5 mmol g−1 h−1. Fe2O3 prepared by SCS could be favorable precursor for ammonia synthesis catalyst. The present study provides a pathway to prepare catalyst for ammonia synthesis.

Ammonia-Synthesis Reaction in the Chromatographic Regime

1976 ◽  
Vol 15 (3) ◽  
pp. 225-227 ◽  
Author(s):  
Bernard D. Unger ◽  
Robert G. Rinker
Keyword(s):  
Ammonia Synthesis ◽  
Synthesis Reaction

scholarly journals Dynamic Study of Feed-Effluent Heat Exchanger Addition on Double Bed Configuration Ammonia Reactor System within Varied Quenching Ratio

2018 ◽  
Vol 156 ◽  
pp. 03047 ◽  
Author(s):  
Tri Partono Adhi ◽  
Ferdyan Ihza Akbar
Keyword(s):  
Heat Exchanger ◽  
Ammonia Synthesis ◽  
Volume Ratio ◽  
Operating Parameters ◽  
Hysteresis Phenomenon ◽  
Simulation Tool ◽  
Synthesis Reaction ◽  
Aspen Hysys ◽  
Feed Temperature ◽  
Varied Parameter

Ammonia is one of the most important industrial commodity due to its wide function. Ammonia synthesis reaction is an exotermic reaction. Therefore, Feed-Effluent Heat Exchanger (FEHE) is added to increase thermal efficiency. However, FEHE could lead the process to experience hysteresis phenomenon due to interaction between equipments as one steady state T feed could result several T outlet. Hysteresis phenomenon may result asset losses like explosion, leakage, and loosing material integrity. Double bed reactor configuration allows us to use several operating parameters as variation to overcome hysteresis. In this review, quenching ratio was chosen to be that varied parameter. This study aims to determine how quenching ratio affects hysteresis zone by utilizing Aspen Hysys® V8.8 as simulation tool. Simulation showed that quenching ratio would narrow hysteresis zone yet increased extinction temperature that lower the conversion. Conversion profile showed that 0.2 quenching ratio got the highest conversion for system with bed volume ratio 2:1 while total volume was 30 m3. However, the feed temperature was fallen at hysteresis zone. Dynamic simulation showed that highest conversion feed temperature (10%ΔTf above extinct temperature) was still able to preserve stability with descending temperature approach. Hysteresis itself started to occur at 1.7%ΔTf above extinct temperature

Investigation of the ammonia synthesis reaction in a field mass spectrometer

1981 ◽  
Vol 16 (5) ◽  
pp. 513-514
Author(s):  
Yu. N. Artyukh ◽  
V. G. Golovatyi ◽  
E. N. Korol'
Keyword(s):  
Mass Spectrometer ◽  
Ammonia Synthesis ◽  
Synthesis Reaction ◽  
Field Mass

Applications of the Soave-Redlich-Kwong Equations of State Using Matlab

2011 ◽  
Vol 225-226 ◽  
pp. 492-495
Author(s):  
Lan Yi Sun ◽  
Cheng Zhai ◽  
Hui Zhang
Keyword(s):  
High Pressure ◽  
Binary Mixture ◽  
Chemical Equilibrium ◽  
Equations Of State ◽  
Ammonia Synthesis ◽  
Pure Component ◽  
Synthesis Reaction ◽  
Liquid Equilibrium ◽  
Vapor Liquid Equilibrium ◽  
Vapor Liquid

In this paper, using Matlab to solve Soave-Redlich-Kwong (SRK) EOS, as well as the estimation of pure component properties, plotting of vapor-liquid equilibrium (VLE) diagram and calculation of chemical equilibrium, is presented. First the SRK EOS is used to predict several pure-component properties, such as liquid and gas molar volumes for isobutane. The vapor-liquid isobaric diagram is then plotted for a binary mixture composed of n-pentane and n-hexane under the pressures of 1.5*10^5 and 7*10^5 Pa respectively. Finally, the extent of ammonia synthesis reaction under high pressure is calculated.

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