USE OF DETAILED KINETIC MODELS FOR MULTISCALE PROCESS SIMULATIONS OF SULFUR RECOVERY UNITS
|
|
- Angel Hill
- 5 years ago
- Views:
Transcription
1 USE OF DETAILED KINETIC MODELS FOR MULTISCALE PROCESS SIMULATIONS OF SULFUR RECOVERY UNITS F. Manenti*, D. Papasidero*, A. Cuoci*, A. Frassoldati*, T. Faravelli*, S. Pierucci*, E. Ranzi*, G. Buzzi-Ferraris* * Politecnico di Milano, Dipartimento di Chimica, Materiali e Ingegneria Chimica Giulio Natta, Piazza Leonardo da Vinci 32, Milano, Italy Abstract The modeling of thermal reaction furnaces of sulfur recovery units is a quite cumbersome problem since it involves different modeling scales such as the kinetic/molecular micro-scale, the reactor design meso-scale, and the chemical process macro-scale. The present paper proposes preliminary results of a multiscale approach to model the thermal furnaces and waste heat boiler based on detailed kinetics and reactor network analysis (RNA). The main kinetic mechanisms are discussed and validated using experimental data; industrial data is used to validate the RNA layout. Introduction Process simulation is nowadays supported by many tools and commercial flowsheeting packages involving unit operations, reactors, thermodynamic libraries, and property databases. These tools make possible the simulation of complex processes and overall plants, but they still have certain key-open-issues to be handled to perform accurate simulations and deepen the process understanding. One of the hardest problems is the simulation of non-ideal reactors via detailed kinetic schemes. This lack in the current process simulators is mainly due to: (I) the need of complex and well-established kinetic schemes to characterize the reaction environment; (II) the need to face simulation issues at different scales (kinetic and plant scales); and (III) the need of powerful solvers to handle the resulting largescale stiff nonlinear systems coming from kinetic modeling. The paper investigates the possibility to bridge the gap in process modeling by coupling OpenSMOKE and BzzMath libraries, two freely downloadable tools. OpenSMOKE [1] allows to simulate non-ideal reactors by solving complex networks of ideal elements. It is based on consolidated kinetic schemes [2]. BzzMath library [3, 4] is a numerical library for scientific computing. Specifically, it includes very performing and robust solvers for several numerical areas. It is worth underlining that these tools can be fully integrated in the most widespread commercial packages as discussed elsewhere [5-7]. For its well-known difficulties and renewed academic and industrial interest, the validation case is the thermal furnace of Claus processes, 1
2 designed to remove sulfur from acid gas streams. Kinetics (microscale) The kinetics of thermal reaction furnace of sulfur recovery units is very complex and not yet completely understood. The kinetics governing the transformations of sulfur compounds has been studied by Mueller et al. [8], who described the main the oxidation mechanisms, and Dagaut et al. [9], who highlighted the inhibition effects of SO 2 on the radical pool. The pyrolysis of hydrogen sulfide, H 2 S, has been defined in detail by different authors [10, 11]. Other authors focused their research on the formation mechanisms of a specific species such as the CS 2 and the COS, but they are not considered in this work for the sake of conciseness, although also the model previsions of these species are in good agreement with the experimental sets that we analyzed. The kinetic mechanisms are collected in an overall kinetic scheme containing 800+ reactions [2], for which the key-reactions only are reported hereinafter as validation. Although in presence of oxygen, the pyrolysis of H 2 S is particularly important in the Claus furnaces, looking forward to its high reactivity at the typical operating conditions and the non-stoichiometric inflow of combustion air. According to the Binoist s reactor and conditions [11] the key steps for the H 2 S pyrolysis are: H 2S = SH + H (1) H 2S = H2 + S (2) Binoist s kinetic parameters are used for (2), whereas Arrhenius parameters 14 k 0 = 210 mol/l/s and E = cal/mol are proposed for (1). A selection of model previsions related to the reactions above is given in Figure 1 and Figure 2. Conversion (H2S) 60.00% 900 C 50.00% 940 C 970 C 40.00% 1000 C 1050 C 850 C 30.00% Exp. C Exp. C 20.00% Exp. C Exp. C 10.00% Exp. C Exp. C 0.00% 0.00E E E E E+00 Residence Time (s) H2 Mole Fraction 3.00E E C 900 C 940 C 2.00E C 1000 C 1.50E C Exp. 850 C Exp. 900 C 1.00E-02 Exp. 940 C Exp. 970 C 5.00E-03 Exp C Exp C 0.00E Residence Time (s) Figure 1. Pyrolysis (Data: Binoist et al., 2003): H 2 S conversion. Figure 2. Pyrolysis (Binoist et al., 2003): H 2 formation. Under the combustion regime of Claus furnaces, the H 2 S is partially (one third) oxidized to SO 2. The partial oxidation allows to achieve the optimal ratio 2
3 HS 2 / SO 2 = 2 at the catalytic reactors (Claus converters) to maximize the yield of the overall SRU: 2H S+ SO = 3/ x S + 2H O (3) 2 2 x 2 and thus to maximize the sequestration of elemental sulfur. x accounts for the sulfur equilibrium ( x = 1, 2, 4,6,8 ). More details on the Claus process can be found elsewhere [6, 12]. The oxidation of sulfur compounds can be conveniently described using the analysis of the H 2 S explosion diagram to give SO 2. The sensitivity analysis in correspondence with the slow-oxidation region highlighted the following predominant reactions ordered by relevance: SH + O2 = HSO2 (4) O2 + H2S = HO2 + SH (5) SO + O2 = SO2 + O (6) Conversely, in the explosion region, the reaction (6) is the most important one. The second limit in the explosion diagram defines the passage from the low to the high pressure mechanisms. It is determined by the following competing reactions: SH + O2 = SO + OH (7) SH + O2 = HSO2 (4) The ratio r 7 / r 4 = 1 describes the transition from low to high pressure mechanism. It is possible to evaluate the explosion diagram using the corresponding constants: ( ) PT α [ ][ ] ( ) [ ][ ]( ) ( ) [ ][ ] ( ) 8 [ ][ ] SH O exp E / RT 10 SH O exp / RT r SH O P / RT exp E / RT 3 10 SH O P / RT 10 r = = = 4 α (8) α E E PT ( ) = exp RT exp 64.2T 8 α 4 RT = T (9) The sensitivity analysis performed for the upper limit showed that the reaction (6) in the ignition region is comparable to (4) in the oxidation region. Conversely, in the ignition zone, the following reactions are relevant: SH + O2 = HSO + O (10) 3
4 H2S+ SO= S2O+ H2 (11) The low pressure limit has poor practical relevance and it is not considered in this work for the sake of conciseness. The oxidation of H 2 S generates SO 2 as major compound. SO 2 is involved in many kinetic mechanisms and, specifically, it plays a key-role in the formation of SO 3 [8]: SO2 + O = SO3 (12) SO2 + OH = HOSO2 (13) HOSO2 + O = SO3 + OH (14) At nominal conditions (lean conditions for combustion air), SO2 can promote or inhibit several mechanisms. For instance, it is a radical pool inhibitor and reduces the CO oxidation rate (Figure 3). Another key-phenomenon is the formation of COS (Figure 4) [13] Species Mole Fraction Exp. Data, O2 Exp. Data, CO Exp. Data, CO2 Model, O2 Model, CO Model, CO2 COS Mole Fraction (mol%) Exp. Data, Reactor 1 Exp. Data, Reactor 2 Model, Reactor 1 Model, Reactor Initial SO2 Mole Fraction (PPM) T ( C) Figure 3. Inhibition effects (Data: Mueller et al., 2003) Figure 4. COS formation (Data: Karan et al., 2003) Reactor Network Analysis (mesoscale) Thermal reaction furnace and waste heat boiler can be simulated by means of several kinds of reactors in series. This simplified configuration (no computational fluid-dynamics) is useful for control purposes According to the fast ignition of H 2 S with respect to the other species, a perfectly-mixed reactor is adopted to simulate the first portion of the thermal furnace, where the H 2 S is oxidized to SO 2 while the oxygen is available, whereas the remaining species are assumed to be inert as discussed elsewhere [14]. Next, two plug-flow reactors are adopted to simulate the remaining portion of the thermal reaction furnace and the waste heat boiler. The 4
5 novelty of the approach is also in the use of the detailed kinetic scheme to estimate the recombination effects that take place in this unit [15]. The integration of the detailed kinetic model and reasonable reactor network leads to a comprehensive multiscale simulation for the kernel of sulfur recovery units, consisting of the thermal furnace and the waste heat boiler. The model previsions are compared to the industrial data acquired at Nanjing plant, China (courtesy of Tecnimont-KT S.p.A.). Figure 5 shows that the multiscale (micro and mesoscales) approach allows to properly characterize the behavior of sulfur recovery units. As a result, model previsions are in good agreement with measured outlet compositions (see Figure 6). Only the residual for the CO molar fraction is larger than 1% and it is probably due to fluid-dynamics issues. It is worth underlining that the industrial data available is acquired only at the waste heat boiler outlet, whereas no online measures are physically possible within the furnace: the multi-scale scale model is particularly useful for reliable inference where practical measurements are prevented Species Profile 0.30 Errors in fitting data (After WHB) CO IND. DAT 0.25 Mole Fraction S2 H2S Simulation Data H2S SO2 O2 CO CO2 S O Reactor Length (m) Figure 5. Model previsions and industrial data fitting for a selection of species Exp. Data Figure 6. Residuals; molar fractions for the main species (a zoom for small fractions, on the right). Conclusions The paper proposes the integration of reactor network analysis and detailed kinetic schemes to achieve a multi-scale approach to face the well-known problem of simulating sulfur recovery units. The process scale is not considered for the time being (future developments). Kinetic mechanisms have been validated on extensive literature data. Simulation results of the multi-scale model are in very good agreement with the industrial data provided by Tecnimont-KT. References [1] Cuoci, A., et al., The ignition, combustion and flame structure of carbon monoxide/hydrogen mixtures. Note 2: Fluid dynamics and kinetic aspects of syngas combustion. International Journal of Hydrogen Energy, (15): p
6 [2] Ranzi, E., A wide-range kinetic modeling study of oxidation and combustion of transportation fuels and surrogate mixtures. Energy & Fuels, (3): p [3] Buzzi-Ferraris, G. and F. Manenti, A Combination of Parallel Computing and Object-Oriented Programming to Improve Optimizer Robustness and Efficiency. Computer Aided Chemical Engineering, : p [4] Buzzi-Ferraris, G. and F. Manenti, BzzMath: Library Overview and Recent Advances in Numerical Methods. Computer Aided Chemical Engineering, (2): p [5] Manenti, F., et al., Adaptive Data Reconciliation Coupling C++ and PRO/II and On-line Application by the Field. Computer Aided Chemical Engineering, : p [6] Signor, S., et al., Sulfur Recovery Units: Adaptive Simulation and Model Validation on an Industrial Plant. Industrial & Engineering Chemistry Research, (12): p [7] Manenti, F., et al., Process Dynamic Optimization Using ROMeo. Computer Aided Chemical Engineering, : p [8] Mueller, M.A., R.A. Yetter, and F.L. Dryer, Kinetic Modeling of the CO/H2O/O2/NO/SO2 System: Implication for High-Pressure Fall-off in the SO2+O(+M)=SO3(+M) Reaction. International Journal of Chemical Kinetics, : p [9] Dagaut, P., et al., Experimental and Kinetic Modeling Study of the Effect of NO and SO2 on the Oxidation of CO-H2 Mixtures. International Journal of Chemical Kinetics, 1995: p [10] Glassmann, I., Combustion. Academic Press, 3rd Ed., San Diego, 1996: p [11] Binoist, M., et al., Kinetic study of the pyrolysis of H2S. Ind. Eng. Chem. Res., : p [12] Manenti, F., M.G. Grottoli, and S. Pierucci, Online Data Reconciliation with Poor-redundancy Systems. Industrial & Engineering Chemistry Research, : [13] Manenti, F., et al., Reactor network analysis of Claus furnace with detailed kinetics. Computer-Aided Chemical Engineering, (2): p [14] Pierucci, S., E. Ranzi, and L. Molinari, Modelling a Claus Reaction Furnace via a Radical Kinetic Scheme. Proceedings of ESCAPE-14, Lisbon, Portugal, 2004: p [15] Manenti, G., et al., Design of SRU thermal reactor and waste heat boiler considering recombination reactions. Procedia Engineering, : p /35proci2012.IV1 6
Revised Kinetic Scheme for Thermal Furnace of Sulfur Recovery Units
A publication of VOL. 11, 2013 Chief Editor: Sauro Pierucci Copyright 2013, AIDIC Servizi S.r.l., ISBN 978-88-95608-55-6; ISSN 2036-5969 AIDIC CONFERENCE SERIES The Italian Association of Chemical Engineering
More informationSimplified kinetic schemes for oxy-fuel combustion
Simplified kinetic schemes for oxy-fuel combustion 1 A. Frassoldati, 1 A. Cuoci, 1 T. Faravelli, 1 E. Ranzi C. Candusso, D. Tolazzi 1 Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico
More informationOxidation of C 3 and n-c 4 aldehydes at low temperatures
Oxidation of C 3 and n-c 4 aldehydes at low temperatures M. Pelucchi*, A. Frassoldati*, E. Ranzi*, T. Faravelli* matteo.pelucchi@polimi.it * CRECK-Department of Chemistry, Materials and Chemical Engineering
More informationConfirmation of paper submission
Prof. Tiziano Faravelli Dipartimento di Chimica, Materiali e Ingegneria Chimica Politecnico di Milano Piazza L. da Vinci, 32 20133 Milano (Italy) 28. Mai 14 Confirmation of paper submission Name: Email:
More informationOpenSMOKE: NUMERICAL MODELING OF REACTING SYSTEMS WITH DETAILED KINETIC MECHANISMS
OpenSMOKE: NUMERICAL MODELING OF REACTING SYSTEMS WITH DETAILED KINETIC MECHANISMS A. Cuoci, A. Frassoldati, T. Faravelli, E. Ranzi alberto.cuoci@polimi.it Department of Chemistry, Materials, and Chemical
More informationTHERMOCHEMICAL INSTABILITY OF HIGHLY DILUTED METHANE MILD COMBUSTION
THERMOCHEMICAL INSTABILITY OF HIGHLY DILUTED METHANE MILD COMBUSTION G. Bagheri*, E. Ranzi*, M. Lubrano Lavadera**, M. Pelucchi*, P. Sabia**, A. Parente***, M. de Joannon**, T. Faravelli* tiziano.faravelli@polimi.it
More informationA wide range kinetic modelling study of laminar flame speeds of reference fuels and their mixtures
A wide range kinetic modelling study of laminar flame speeds of reference fuels and their mixtures A. Frassoldati, R. Grana, A. Cuoci, T. Faravelli, E. Ranzi Dipartimento di Chimica, Materiali e Ingegneria
More informationCFD and Kinetic Analysis of Bluff Body Stabilized Flame
CFD and Kinetic Analysis of Bluff Body Stabilized ame A. Dicorato, E. Covelli, A. Frassoldati, T. Faravelli, E. Ranzi Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, ITALY
More informationDynamic Simulation of the Lurgi-type Reactor for Methanol Synthesis
Dynamic Simulation of the Lurgi-type Reactor for Methanol Synthesis Flavio Manenti 1*, Silvia Cieri, Marco Restelli, Nadson Murilo Nascimento Lima 3, Lamia Zuniga Linan 3 1 Politecnico di Milano, CMIC
More informationNUMERICAL INVESTIGATION OF IGNITION DELAY TIMES IN A PSR OF GASOLINE FUEL
NUMERICAL INVESTIGATION OF IGNITION DELAY TIMES IN A PSR OF GASOLINE FUEL F. S. Marra*, L. Acampora**, E. Martelli*** marra@irc.cnr.it *Istituto di Ricerche sulla Combustione CNR, Napoli, ITALY *Università
More informationKinetic modelling of Biofuels: Pyrolysis and Auto-Ignition of Aldehydes
871 A publication of CHEMICAL ENGINEERING TRANSACTIONS VOL. 37, 2014 Guest Editors: Eliseo Ranzi, Katharina Kohse- Höinghaus Copyright 2014, AIDIC Servizi S.r.l., ISBN 978-88-95608-28-0; ISSN 2283-9216
More informationGas Phase Kinetics of Volatiles from Biomass Pyrolysis. Note I: Ketene, Acetic Acid, and Acetaldehyde
Gas Phase Kinetics of Volatiles from Biomass Pyrolysis. Note I: Ketene, Acetic Acid, and Acetaldehyde G. Bozzano*, M. Dente*, E. Ranzi* Giulia.Bozzano@polimi.it *Politecnico di Milano Dip. CMIC p.zza L.
More informationNumerical Modeling of Laminar, Reactive Flows with Detailed Kinetic Mechanisms
Department of Chemistry, Materials, and Chemical Engineering G. Natta Politecnico di Milano (Italy) A. Cuoci, A. Frassoldati, T. Faravelli and E. Ranzi Numerical Modeling of Laminar, Reactive Flows with
More informationSoot formation in turbulent non premixed flames
Soot formation in turbulent non premixed flames A. Cuoci 1, A. Frassoldati 1, D. Patriarca 1, T. Faravelli 1, E. Ranzi 1, H. Bockhorn 2 1 Dipartimento di Chimica, Materiali e Ing. Chimica, Politecnico
More informationHow sulphur really forms on the catalyst surface
How sulphur really forms on the catalyst surface The catalytic oxidation of hydrogen sulphide to sulphur plays a major role in the sulphur recovery process. The catalytic stages of a Claus unit produce
More informationEXPERIMENTAL AND KINETIC
EXPERIMENTAL AND KINETIC MODELING STUDY OF THE EFFECT OF SO 2 ON FUEL OXIDATION IN AN O 2 /CO 2 ATMOSPHERE J. Giménez*, M. Martinez, A. Millera, R. Bilbao, M.U. Alzueta I3A - University of Zaragoza - Spain
More informationDevelopment of a Kinetic Model of Lean-NOx-Trap and Validation through a Reactive CFD Approach
643 A publication of CHEMICAL ENGINEERING TRANSACTIONS VOL. 32, 213 Chief Editors: Sauro Pierucci, Jiří J. Klemeš Copyright 213, AIDIC Servizi S.r.l., ISBN 978-88-9568-23-5; ISSN 1974-9791 The Italian
More informationC. Saggese, N. E. Sanchez, A. Callejas, A. Millera, R. Bilbao, M. U. Alzueta, A. Frassoldati, A. Cuoci, T. Faravelli, E. Ranzi
Dipartimento di Chimica, Materiali e Ingegneria Chimica G. Natta Politecnico di Milano in collaboration with: A Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbons (PAHs) and Soot Formation in Acetylene
More informationA kinetic generator of hydrocarbon pyrolysis mechanisms
European Symposium on Computer Arded Aided Process Engineering 15 L. Puigjaner and A. Espuña (Editors) 2005 Elsevier Science B.V. All rights reserved. A kinetic generator of hydrocarbon pyrolysis mechanisms
More informationCOMBUSTION CHEMISTRY COMBUSTION AND FUELS
COMBUSTION CHEMISTRY CHEMICAL REACTION AND THE RATE OF REACTION General chemical reaction αa + βb = γc + δd A and B are substracts and C and are products, α, β, γ and δ are stoichiometric coefficients.
More informationA Comprehensive CFD Model for the Biomass Pyrolysis
445 A publication of CHEMICAL ENINEERIN TRANACTION VOL. 43, 2015 Chief Editors: auro Pierucci, Jiří J. Klemeš Copyright 2015, AIDIC ervizi.r.l., IBN 978-88-95608-34-1; IN 2283-9216 The Italian Association
More informationInvestigation by Thermodynamic Properties of Methane Combustion Mechanisms under Harmonic Oscillations in Perfectly Stirred Reactor
1459 A publication of CHEMICAL ENGINEERING TRANSACTIONS VOL. 57, 2017 Guest Editors: Sauro Pierucci, Jiří Jaromír Klemeš, Laura Piazza, Serafim Bakalis Copyright 2017, AIDIC Servizi S.r.l. ISBN 978-88-95608-48-8;
More informationProcess Chemistry Toolbox - Mixing
Process Chemistry Toolbox - Mixing Industrial diffusion flames are turbulent Laminar Turbulent 3 T s of combustion Time Temperature Turbulence Visualization of Laminar and Turbulent flow http://www.youtube.com/watch?v=kqqtob30jws
More informationDETAILED MODELLING OF SHORT-CONTACT-TIME REACTORS
DETAILED MODELLING OF SHORT-CONTACT-TIME REACTORS Olaf Deutschmann 1, Lanny D. Schmidt 2, Jürgen Warnatz 1 1 Interdiziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg Im Neuenheimer
More informationA wide range kinetic modeling study of alkene oxidation
A wide range kinetic modeling study of alkene oxidation M. Mehl 1, T. Faravelli 1, E. Ranzi 1, A. Ciajolo 2, A. D'Anna 3, A. Tregrossi 2 1. CMIC-Politecnico di Milano ITALY 2. Istituto Ricerche sulla Combustione
More informationNumerical modeling of auto-ignition of isolated fuel droplets in microgravity
Department of Chemistry, Materials, and Chemical Engineering Politecnico di Milano (Italy) A. Cuoci, A. Frassoldati, T. Faravelli and E. Ranzi Numerical modeling of auto-ignition of isolated fuel droplets
More informationAAE COMBUSTION AND THERMOCHEMISTRY
5. COMBUSTIO AD THERMOCHEMISTRY Ch5 1 Overview Definition & mathematical determination of chemical equilibrium, Definition/determination of adiabatic flame temperature, Prediction of composition and temperature
More informationFundamentals of Combustion
Fundamentals of Combustion Lec 3: Chemical Thermodynamics Dr. Zayed Al-Hamamre Content Process Heat Transfer 1-3 Process Heat Transfer 1-4 Process Heat Transfer 1-5 Theoretical and Excess Air Combustion
More informationCFD study of gas mixing efficiency and comparisons with experimental data
17 th European Symposium on Computer Aided Process Engineering ESCAPE17 V. Plesu and P.S. Agachi (Editors) 2007 Elsevier B.V. All rights reserved. 1 CFD study of gas mixing efficiency and comparisons with
More informationDevelopment of a Kinetic Model of Lean-NOx-Trap and Validation through a Reactive CFD Approach
A publication of VOL. 11, 2013 Chief Editor: Sauro Pierucci Copyright 2013, AIDIC Servizi S.r.l., ISBN 978-88-95608-55-6; ISSN 2036-5969 AIDIC CONFERENCE SERIES The Italian Association of Chemical Engineering
More informationThe Seeding of Methane Oxidation
The Seeding of Methane Oxidation M. B. DAVIS and L. D. SCHMIDT* Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55455 USA Mixtures of light alkanes and
More informationLimestone-Gypsum Flue Gas Desulfurization Process: Modeling of Catalyzed Bisulfite Oxidation
781 A publication of CHEMICAL ENGINEERING TRANSACTIONS VOL. 32, 2013 Chief Editors: Sauro Pierucci, Jiří J. Klemeš Copyright 2013, AIDIC Servizi S.r.l., ISBN 978-88-95608-23-5; ISSN 1974-9791 The Italian
More informationFuel ash behavior importance of melting
Fuel ash behavior importance of melting Why is ash melting important? Bed agglomeration in fluidized bed boilers Bed behavior in BL recovery boilers Deposit formation and build up Corrosion of superheaters
More informationCombustion Theory and Applications in CFD
Combustion Theory and Applications in CFD Princeton Combustion Summer School 2018 Prof. Dr.-Ing. Heinz Pitsch Copyright 201 8 by Heinz Pitsch. This material is not to be sold, reproduced or distributed
More information1. Why are chemical reactions important to energy, environmental and process engineering? Name as many reasons as you can think of.
EEC 503 Spring 2013 REVIEW 1: BASIC KINETIC CONCEPTS 1. Why are chemical reactions important to energy, environmental and process engineering? Name as many reasons as you can think of. 2. What is a chemical
More information2011 DOE Crosscut Workshop on Lean Emissions Reduction Simulation April 2011 Dearborn, MI
Renewable energies Eco-friendly production Innovative transport Eco-efficient processes Sustainable resources 2011 DOE Crosscut Workshop on Lean Emissions Reduction Simulation April 2011 Dearborn, MI Research
More informationHIGH PRESSURE METHANE-OXYGEN COMBUSTION KINETIC ANALYSIS
HIGH PRESSURE METHANE-OXYGEN COMBUSTION KINETIC ANALYSIS G. Saccone*, P. Natale*, F. Battista* g.saccone@cira.it p.natale@cira.it f.battista@cira.it *CIRA Italian Aerospace Research Centre, Capua Italy,
More informationChemical Kinetics of HC Combustion
Spark Ignition Engine Combustion MAK65E Chemical Kinetics of HC Combustion Prof.Dr. Cem Soruşbay Istanbul Technical University Chemical Kinetics of HC Combustion Introduction Elementary reactions Multi-step
More informationEEC 503 Spring 2009 REVIEW 1
EEC 503 Spring 2009 REVIEW 1 1. Why are chemical reactions important to energy, environmental and process engineering? Name as many reasons as you can think of. 2. What is a chemical reaction? 3. What
More informationInteractions between oxygen permeation and homogeneous-phase fuel conversion on the sweep side of an ion transport membrane
Interactions between oxygen permeation and homogeneous-phase fuel conversion on the sweep side of an ion transport membrane The MIT Faculty has made this article openly available. Please share how this
More informationNon-steady-state approach t o steady-state kinetics: cas e study of H2S oxidation by oxygen
Boresov Institute of Catalysis From the SelectedWors of Andrey N Zagoruio December, 2003 Non-steady-state approach t o steady-state inetics: cas e study of H2S oxidation by oxygen Andrey N Zagoruio Vladimir
More informationCFD Modeling Ensures Safe and Environmentally Friendly Performance in Shell Claus Off-Gas Treating (SCOT) Unit
CFD Modeling Ensures Safe and Environmentally Friendly Performance in Shell Claus Off-Gas Treating (SCOT) Unit Mike Henneke, Ph.D. P.E. and Joseph Smith, Ph.D. CD-acces John Petersen and John McDonald,
More informationPhD in INDUSTRIAL CHEMISTRY AND CHEMICAL ENGINEERING - 33rd cycle
PhD in INDUSTRIAL CHEMISTRY AND CHEMICAL ENGINEERING - 33rd cycle Number of scholarship offered 6 Department DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA" Description of the PhD
More informationSimulating the combustion of gaseous fuels 6th OpenFoam Workshop Training Session. Dominik Christ
Simulating the combustion of gaseous fuels 6th OpenFoam Workshop Training Session Dominik Christ This presentation shows how to use OpenFoam to simulate gas phase combustion Overview Theory Tutorial case
More informationExperimental study of the combustion properties of methane/hydrogen mixtures Gersen, Sander
University of Groningen Experimental study of the combustion properties of methane/hydrogen mixtures Gersen, Sander IMPORTANT NOTE: You are advised to consult the publisher's version (publisher's PDF)
More informationReacting Gas Mixtures
Reacting Gas Mixtures Reading Problems 15-1 15-7 15-21, 15-32, 15-51, 15-61, 15-74 15-83, 15-91, 15-93, 15-98 Introduction thermodynamic analysis of reactive mixtures is primarily an extension of the principles
More informationAuto-ignition delay times of methane/air diluted mixtures. Numerical and experimental approaches.
Auto-ignition delay times of methane/air diluted mixtures. Numerical and experimental approaches. A. Picarelli 1, P. Sabia 2, M. de Joannon 2, R. Ragucci 2 1. Dipartimento di Ingegneria Chimica - Università
More informationComputer Aided Detailed Mechanism Generation for Large Hydrocarbons: n-decane
23 rd ICDERS July 24 29, 2011 Irvine, USA Computer Aided Detailed Mechanism Generation for Large Hydrocarbons: n-decane Martin Hilbig 1, Lars Seidel 1, Xiaoxiao Wang 1, Fabian Mauss 1 and Thomas Zeuch
More informationCHEMICAL ENGINEERING II (MASTERY) Professor K. Li Dr. S. Kalliadasis Professor R. Kandiyoti
2 ND YEAR COURSE OBJECTIVES CHEMICAL ENGINEERING II (MASTERY) Professor K. Li Dr. S. Kalliadasis Professor R. Kandiyoti ChE.201 The aim of mastery in the 2 nd year is to further develop students ability
More informationChapter 4. Fundamentals of Material Balance
Chapter 4 Fundamentals of Material Balance Introduction to Chapter 4 1) In chapter 4 we will present methods for organizing known information about process variables, setting up martial balance equations,
More informationFirst-principles based catalytic reaction engineering Matteo Maestri
CECAM International Summer School Hot topic 4 First-principles based catalytic reaction engineering Matteo Maestri July 23, 2013 Conversationshaus - Norderney, Germany Catalytic cycle Consists of the elementary
More informationReactors. Reaction Classifications
Reactors Reactions are usually the heart of the chemical processes in which relatively cheap raw materials are converted to more economically favorable products. In other cases, reactions play essential
More informationChemical Reactions and Kinetics of the Carbon Monoxide Coupling in the Presence of Hydrogen
Journal of Natural Gas Chemistry 11(2002)145 150 Chemical Reactions and Kinetics of the Carbon Monoxide Coupling in the Presence of Hydrogen Fandong Meng 1,2, Genhui Xu 1, Zhenhua Li 1, Pa Du 1 1. State
More informationThermodynamic and Stochiometric Principles in Materials Balance
Thermodynamic and Stochiometric Principles in Materials Balance Typical metallurgical engineering problems based on materials and energy balance NiO is reduced in an open atmosphere furnace by excess carbon
More informationDARS Digital Analysis of Reactive Systems
DARS Digital Analysis of Reactive Systems Introduction DARS is a complex chemical reaction analysis system, developed by DigAnaRS. Our latest version, DARS V2.0, was released in September 2008 and new
More informationCombustion. Indian Institute of Science Bangalore
Combustion Indian Institute of Science Bangalore Combustion Applies to a large variety of natural and artificial processes Source of energy for most of the applications today Involves exothermic chemical
More informationFDE 211-MATERIAL AND ENERGY BALANCES: MATERIAL BALANCES ON REACTIVE SYSTEMS. Dr. Ilgın PakerYıkıcı Fall 2015
FDE 211-MATERIAL AND ENERGY BALANCES: MATERIAL BALANCES ON REACTIVE SYSTEMS 1 Dr. Ilgın PakerYıkıcı Fall 2015 Learning Objectives Write a balanced chemical reaction and use stoichiometry to determine the
More informationAsymptotic Analysis of the Structure of Moderately Rich Methane-Air Flames
Asymptotic Analysis of the Structure of Moderately Rich Methane-Air Flames K. SESHADRI,* X. S. BAI,** H. PITSCH, and N. PETERS Institut für Technische Mechanik, RWTH Aachen, D-52056 Aachen, Federal Republic
More informationCarbon dioxide removal processes by alkanolamines in aqueous organic solvents Hamborg, Espen Steinseth
University of Groningen Carbon dioxide removal processes by alkanolamines in aqueous organic solvents Hamborg, Espen Steinseth IMPORTANT NOTE: You are advised to consult the publisher's version (publisher's
More informationHierarchical approach
Chemical mechanisms Examine (i) ways in which mechanisms are constructed, (ii)their dependence on rate and thermodynamic data and (iii) their evaluation using experimental targets Copyright 2011 by Michael
More informationNumerical Simulations of Hydrogen Auto-ignition in a Turbulent Co-flow of Heated Air with a Conditional Moment Closure
Numerical Simulations of Hydrogen Auto-ignition in a Turbulent Co-flow of Heated Air with a Conditional Moment Closure I. Stanković*, 1, A. Triantafyllidis, E. Mastorakos, C. Lacor 3 and B. Merci 1, 4
More informationContinuation Analysis of Complex Chemical Mechanisms for Jet-Fuels Combustion in PSR
25 th ICDERS August 2 7, 2015 Leeds, UK Continuation Analysis of Complex Chemical Mechanisms for Jet-Fuels Combustion in PSR Luigi Acampora 1, Erasmo Mancusi 1, Francesco Saverio Marra 2 1 Dipartimento
More informationExperimental and modeling study of the pyrolysis and combustion of dimethoxymethane
Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane Florence Vermeire, Hans-Heinrich Carstensen, Olivier Herbinet, Frédérique Battin-Leclerc, Guy B. Marin and Kevin M. Van
More informationIntroduction to the course ``Theory and Development of Reactive Systems'' (Chemical Reaction Engineering - I)
Introduction to the course ``Theory and Development of Reactive Systems'' (Chemical Reaction Engineering - I) Prof. Gabriele Pannocchia Department of Civil and Industrial Engineering (DICI) University
More informationCFD Simulation of Catalytic Combustion of Benzene
Iranian Journal of Chemical Engineering Vol. 6, No. 4 (Autumn), 9, IAChE CFD Simulation of Catalytic Combustion of Benzene A. Niaei 1, D. Salari, S. A. Hosseini 3 1- Associate Professor of Chemical Engineering,
More informationBased on the kinetic molecular theory of gases, which one of the following statements is INCORRECT?
1 Based on the kinetic molecular theory of gases, which one of the following statements is INCORRECT? A) The collisions between gas molecules are perfectly elastic. B) At absolute zero, the average kinetic
More informationAsymptotic Structure of Rich Methane-Air Flames
Asymptotic Structure of Rich Methane-Air Flames K. SESHADRI* Center for Energy and Combustion Research, Department of Mechanical and Aerospace Engineering, University of California at San Diego, La Jolla,
More informationWINTER-15 EXAMINATION Model Answer
Subject code :(735) Page of 9 Important Instructions to examiners: ) The answers should be examined by key words and not as word-to-word as given in the model answer scheme. ) The model answer and the
More informationHIGH-FIDELITY MODELS FOR COAL COMBUSTION: TOWARD HIGH-TEMPERATURE OXY-COAL FOR DIRECT POWER EXTRACTION
1 HIGH-FIDELITY MODELS FOR COAL COMBUSTION: TOWARD HIGH-TEMPERATURE OXY-COAL FOR DIRECT POWER EXTRACTION XINYU ZHAO UNIVERSITY OF CONNECTICUT DANIEL C. HAWORTH 1, MICHAEL F. MODEST 2, JIAN CAI 3 1 THE
More informationCATALYTIC COMBUSTION OF HYD RO GEN/ AIR IN MICROCHANNEL REACTOR
55 1 Vol 55 1 2004 1 Journal of Chemical Industry and Engineering (China) January 2004 (, 116023) /,,, H 2 3 % (mol) 15 %(mol), H 2 8 %(mol) 150 110 10 6 h - 1, 90 % TQ 032141 A 0438-1157 (2004) 01-0042
More informationElementary Reactions
Updated: 3 September 2013 Print version Lecture #5 Kinetics and Thermodynamics: Fundamentals of Kinetics and Analysis of Kinetic Data (Benjamin, 1.6) (Stumm & Morgan, Chapt.2 ) (pp.16-20; 69-81) David
More informationName. Chem 116 Sample Examination #2
page 1 of 8 Name Last 5 digits of Student Number: XXX X Chem 116 Sample Examination #2 This exam consists of eight (8) pages, including this cover page. Be sure your copy is complete before beginning your
More informationi i ne. (1) i The potential difference, which is always defined to be the potential of the electrode minus the potential of the electrolyte, is ln( a
We re going to calculate the open circuit voltage of two types of electrochemical system: polymer electrolyte membrane (PEM) fuel cells and lead-acid batteries. To do this, we re going to make use of two
More informationEffects of Solvent Acidity on the Free-Radical-Initiated Synthesis of Methanesulfonic Acid from CH 4 and SO 3
Ind. Eng. Chem. Res. 2002, 41, 5901-5905 5901 APPLIED CHEMISTRY Effects of Solvent Acidity on the Free-Radical-Initiated Synthesis of Methanesulfonic Acid from CH 4 and SO 3 Sudip Mukhopadhyay and Alexis
More informationQUENCHING DISTANCES OF STOICHIOMETRIC ETHYLENE-AIR MIXTURE WITH CO 2 ADDITION. Introduction. Experimental
QUENCHING DISTANCES OF STOICHIOMETRIC ETHYLENE-AIR MIXTURE WITH CO 2 ADDITION V. Munteanu, O. M. Staicu, and D. Oancea abstract: The effect of CO 2 addition between 4 and 16 vol.% on the ethylene-air mixture
More informationNew Reaction Classes in the Kinetic Modeling of Low Temperature Oxidation of n-alkanes
Supplemental Material for paper New Reaction Classes in the Kinetic Modeling of Low Temperature Oxidation of n-alkanes Eliseo Ranzi, Carlo Cavallotti, Alberto Cuoci, Alessio Frassoldati, Matteo Pelucchi,
More informationHydrogen addition to the Andrussow process for HCN synthesis
Applied Catalysis A: General 201 (2000) 13 22 Hydrogen addition to the Andrussow process for HCN synthesis A.S. Bodke, D.A. Olschki, L.D. Schmidt Department of Chemical Engineering and Materials Science,
More informationA Mechanistic Approach to Delayed Coking Modelling
European Symposium on Computer Arded Aided Process Engineering 15 L. Puigjaner and A. Espuña (Editors) 2005 Elsevier Science B.V. All rights reserved. A Mechanistic Approach to Delayed Coking Modelling
More informationIgnition delay-time study of fuel-rich CH 4 /air and CH 4 /additive/air mixtures over a wide temperature range at high pressure
25 th ICDERS August 2 7, 2015 Leeds, UK Ignition delay-time study of fuel-rich CH 4 /air and CH 4 /additive/air mixtures over a wide temperature range at high pressure Jürgen Herzler, Mustapha Fikri, Oliver
More informationKinetic modelling of homogeneous low temperature multi-pollutant oxidation by ozone: The importance of SO and HCl in predicting oxidation *
Wei et al. / J Zhejiang Univ SCIENCE A 006 7(Suppl. II):5-9 5 Journal of Zhejiang University SCIENCE A ISSN 009-095 (Print); ISSN 86-775 (Online) www.zju.edu.cn/jzus; www.springerlink.com E-mail: jzus@zju.edu.cn
More informationTHE FUTURE OF THE CHEMISTRY: CONTINUOUS FLOW REACTIONS BASEL 2016
THE FUTURE OF THE CHEMISTRY: CONTINUOUS FLOW REACTIONS BASEL 2016 CHEMICAL PLANT CONTINUOUS FLOW REACTOR The continuous flow reactor is a safe system, running chemical reactions in reduced volume with
More informationLecture 2. Chemical Kinetics. Chemical Kinetics 6/26/11. One (elementary) step reaction
Lecture Chemical Kinetics 1 One (elementary) step reaction im i i M i is the number of species i, i are the stoichiometric coefficients i i Chemical Kinetics =0ifi is not a reactant =0ifi is not a product
More informationSELECTIVE REMOVAL OF CARBON DIOXIDE FROM AQUEOUS AMMONIA SOLUTIONS
Distillation Absorption 2010 A.B. de Haan, H. Kooijman and A. Górak (Editors) All rights reserved by authors as per DA2010 copyright notice SELECTIVE REMOVAL OF CARBON DIOXIDE FROM AQUEOUS AMMONIA SOLUTIONS
More informationHeating value, adiabatic flame temperature, air factor
Heating value, adiabatic flame temperature, air factor Background heating value In a boiler fuel is burned (oxidized) to flue gas components. In this process, (chemical) energy is released and bound to
More informationLaminar Premixed Flames: Flame Structure
Laminar Premixed Flames: Flame Structure Combustion Summer School 2018 Prof. Dr.-Ing. Heinz Pitsch Course Overview Part I: Fundamentals and Laminar Flames Introduction Fundamentals and mass balances of
More informationINTRODUCTION TO CHEMICAL PROCESS SIMULATORS
INTRODUCTION TO CHEMICAL PROCESS SIMULATORS DWSIM Chemical Process Simulator A. Carrero, N. Quirante, J. Javaloyes October 2016 Introduction to Chemical Process Simulators Contents Monday, October 3 rd
More informationfor the Modelling of the Steam Cracking Process
Equation Based SPYRO Model and Optimiser for the Modelling of the Steam Cracking Process Marco W.M. van Goethem a*, Florian I. Kleinendorst a, Nils van Velzen b, Mario Dente c, Eliseo Ranzi c a Technip
More informationBurgoyne Consultants Ltd., Burgoyne House, Chantry Drive, Ilkley, West Yorkshire, U.K.
A SIMPLE METHOD OF ESTIMATING EXOTHERMICITY BY AVERAGE BOND ENERGY SUMMATION ARTHUR D. CRAVEN A simple method is described whereby the approximate exothermicity of a chemical reaction or decomposition
More informationData reconciliation and gross error detection: application in chemical processes
Cumhuriyet Üniversitesi Fen Faültesi Fen Bilimleri Dergisi (CFD), Cilt:36, No: 3 Özel Sayı (2015) ISSN: 1300-1949 Cumhuriyet University Faculty of Science Science Journal (CSJ), Vol. 36, No: 3 Special
More informationNonlinear dynamics of three-way catalyst with microkinetics and internal diffusion
Nonlinear dynamics of three-way catalyst P. Kočí, V. Nevoral, M. Kubíček, M. Marek Center for Nonlinear Dynamics of Chemical and Biological Systems Prague Institute of Chemical Technology Technická 5,
More informationModelling of transient stretched laminar flame speed of hydrogen-air mixtures using combustion kinetics
Loughborough University Institutional Repository Modelling of transient stretched laminar flame speed of hydrogen-air mixtures using combustion kinetics This item was submitted to Loughborough University's
More informationALE 9. Equilibrium Problems: ICE Practice!
Name Chem 163 Section: Team Number: ALE 9. Equilibrium Problems: ICE Practice! (Reference: 17.5 Silberberg 5 th edition) Equilibrium Calculations: Show all work with correct significant figures. Circle
More informationReactions and Reactors
Reactions and Reactors ChE 400 - Reactive Process Engineering If we want to run a chemical process in order to convert some reactants (the reactor feed) to some product (the reactor effluent), we have
More informationProcess Design Decisions and Project Economics Prof. Dr. V. S. Moholkar Department of Chemical Engineering Indian Institute of Technology, Guwahati
Process Design Decisions and Project Economics Prof. Dr. V. S. Moholkar Department of Chemical Engineering Indian Institute of Technology, Guwahati Module - 2 Flowsheet Synthesis (Conceptual Design of
More informationTHE ROLE OF SENSITIVITY ANALYSIS IN MODEL IMPROVEMENT
Energy and Resources Research Institute School of something FACULTY OF OTHER Faculty of Engineering THE ROLE OF SENSITIVITY ANALYSIS IN MODEL IMPROVEMENT Alison S. Tomlin Michael Davis, Rex Skodje, Frédérique
More informationMethane Oxidation Reactions
Methane Oxidation Reactions CH 4 + 2 O -> CO 2 2 + 2 H 2 O Total Oxidation (Combustion) CH 4 + 0.5 O -> CO 2 + 2 H 2 CO + 0.5 O -> CO 2 2 H 2 + 0.5 O -> H 2 2 O CH 4 + H 2 O->CO + 3 H 2 Partial Oxidation
More informationDesign of experiments and empirical models for up to date burners design for process industries
Design of experiments and empirical models for up to date burners design for process industries Proceedings of European Congress of Chemical Engineering (ECCE-6) Copenhagen, 16-20 September 2007 Design
More informationReactor Modeling of a Non-Catalytic OCM Process
Iranian Journal of Chemical Engineering Vol. 2, No. 2, 2005, IAChE Reactor Modeling of a Non-Catalytic OCM Process M. Kazemeini and A.R. Mohammadi 2. Department of Chemical & Petroleum Engineering, Sharif
More informationFTIR measurement of NH 3, HCN, SO 2, H 2 S and COS in pulverized lignite oxy-fuel flames Daniel Fleig, Stefan Hjärtstam and Daniel Kühnemuth
FTIR measurement of NH 3, HCN, SO 2, H 2 S and COS in pulverized lignite oxy-fuel flames Daniel Fleig, Stefan Hjärtstam and Daniel Kühnemuth Abstract Nitrogen and sulphur compounds are investigated in
More informationObjective: To Evaluate Predictions of Alternative Models
www.optience.com Methanol Synthesis Objective: To Evaluate Predictions of Alternative Models In this example, we propose and evaluate Mass Action and Langmuir Hinshelwood (LHHW) models for methanol synthesis
More information