Modelling and kinetic of reactor design

A one-day meeting of presentations, discussions and posters on recent progress on "Kinetic, Transport Modelling and Experiments in Catalytic Systems". Special Interest Groups Venue:

Modelling and kinetic of reactor design

Modeling reactors and their corresponding reactions is difficult by nature but can be rewarding if done correctly. After defining process components, the user can choose a reaction type as listed in the section below.

Unlike other simulation programs, HYSYS attempts to calculate all variables at all times which can be helpful or frustrating at times.

The user can utilize the "hold" function in order to cease this process. Limitations Because simulation requires reaction characteristics, parameters, and other information, it is important to conduct background research appropriate to the reaction of interest before beginning the actual simulation.

If theoretical or empirical data do not exist for the reaction, it may be difficult or impossible to conduct a computer simulation see Additional Options. It follows that an increasing number of reaction byproducts requires an increasing amount of reaction data.

Modelling and kinetic of reactor design

Users should not be concerned if they cannot quantitatively specify or simulate all reaction by-products or outputs; in the end, a simulation as a process approximation and is inherently unable to model the process completely.

Of course, the phase of the reaction must be known; unfortunately, however, HYSYS does not support solid phase modeling and thus a different approach must be chosen AspenTech. Aspen Plus Fluidized Bed Reactor Simulation The fluidized bed reactor is a reactor in which the fluid from the bottom of the reactor keeps the solid catalysts suspended inside the reactor.

This reactor has an advantage over traditional packed bed reactor because it has a better heat and mass transfer. In industry, the fluidized bed reactor is most prominently used to produce products which cannot be efficiently manufactured using more commonly using more commonly used reactors Towler, A fluidized bed reactor is used to produce a variety of products.

In fuel industry, a fluidized bed reactor is used to produce gasolines, propane, butane, and propylene Washington University, While these are some of the common uses of fluidized bed reactor, good mixing and energy efficient nature of the reactor allows a fluidized bed to be used in producing a less conventional fluidized bed reactor product such as photovoltaic cells.

REC Silicon uses fluidized bed to produce purified silicon for photovaltaic cells as shown in the picture Computational Particle Fluid Dynamics, Unlike the traditional method of covering seed rods with a superheated silicon gas, the method used by REC Silicon lets the seed granules to float inside a fluidized bed reactor.

Then, silane gas enters from the bottom and when it comes in contact with the seed granule, the gas breaks down and covers it with silicon. Once enough silicon layer is sufficiently deposited, the larger and heavier granules exit the fluidized bed reactor. Fluizied Bed Reactor In order to manually design a fluidized bed reactor which would yield a useful information, myriads of parameters such as porosity at minimum fluidization, minimum fluidization velocity, bubble size, minimum fluidization velocity, velocity of bubble rise, fraction of the total bed occupied by bubbles, fraction of the bed consisting of wakes, volume of the catalyst in the bubbles, clouds and emulsion, mass transfer coefficient between bubble and cloud and additional information must be obtained experimentally Brown, For most purposes, such manual calculation is not only tedious but also has a great chance of yielding an incorrect result.

Furthermore, it does not have advanced reactors such as the fluidized bed reactor. Aspen Plus allows the users to handle solids and model a fulidized bed reactor AspenTech, Limitation Aspen Plus Fluidized Bed Reactor Simulation While Aspen Plus allows the simulation to yield as realistic result as possible, the general heuristic is that the catalyst particle sizes should be generally less than a micro-meter Towler, Also, the fluid of the reactants entering the reactor from the bottom should be above the minimum fluidization velocity of the particle, which is the minimum linear velocity of the reactant to keep the solid particles in the air Brown, Furthermore, the simulation may not correctly reflect what really happens in the reactor.

Modelling of kinetics and reactor for water purification by photo-oxidation - ScienceDirect

For example, Aspen Plus requires an entering and exiting streams of solid particles in the simulation AspenTech, However, in a real fluidized bed reactor, a fixed amount of catalyst is put into the reactor and kept from leaving the reactor by controlling the fluidization velocity.

The catalysts are switched when their life cycle is done and this switching of catalyst could be modeled as a continuous flow of solid particles.

However, it is important to note that what is on the flow sheet of the simulation may not be a correct representation of the real system.

Research Choosing a Fluid Package When dealing with chemical reactions, knowing details about the reaction is key. The products and reactants should be known and any identifying properties known.

Examples of the properties being referred to are the phase of the reaction, the interactions between molecules, and the effects of the reaction occurring. In addition, any potential side reactions that can occur should be noted and the conditions under which they are more likely to occur should be identified.

When working exclusively with gases and liquids, there is little information required other than operating parameters. Using the fluid package specified and equilibrium data, HYSYS will determine the vapor and liquid fractions.

Reactor design | Laboratory for Chemical Technology

When modelling solids, additional information is required. Because solids are more heterogeneous than liquids and gases, information such as the size of the particles used, chemical composition, and moisture content must be input into a simulation AspenTech.The design and testing as well as theoretical and experimental study involving kinetic modeling and photooxidation reactions of a gas-phase photocatalytic packed bed reactor (PBR) based on a porous titania foam is reported.

process is to be aware of kinetic and mathematical models. It is necessary, above all, to study the kinetics of the catalyst reaction in detail to gain a better understanding of the physical and chemical essence of the catalyst reaction.

This will involve the mathematical modelling of the. At first, a detailed kinetic mechanism is assembled and validated under conditions relevant to SOFC operation. Reactor networks of increasing complexity are subsequently developed on the basis of CFD simulations of a prototype T-POX reformer and computational results are compared with experimental temperature and species data.

Modelling and kinetic of reactor design

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Entering Kinetic Data In Hysys - Chemical Process Simulation - Community