Brescia (June 28, 2010) — comsol s.r.l. announces today’s release of the chemical reaction engineering module. This new module, built on the comsol platform, was created to provide a single working environment to engineers and researchers who want to realistically study material balances and chemical reactions of a wide range of chemical kinetics and unit operations that occur under different operating conditions. users will be able to simulate reagent systems, ranging from micro-reactors typical of biotechnology to the classic unit operations of process chemistry, understanding its behavior from the early stages of design and with the advantage of being able to create convenient and efficient development cycles both for the products and for the processes involved.
“The chemical reaction engineering module can be used to develop different types of products and processes for the most diverse markets,” comments henrik von schenk, chemical engineering product manager of comsol. “This module is particularly useful, for example, in the design of analytical instrument sensors or in the development of catalysts and filters for automotive exhaust systems. chemical reaction engineering module will show all its value if used in the development of products and processes for industries such as pharmaceuticals, consumer products and fine, basic chemistry and specialties. ”
chemical reaction module engineering combines the functionality of two previous modules, the chemical engineering module and the reaction engineering module, and the power of newly reingegnerized architecture of comsol version 4. the result is a product with new features and greater usability. with this new module users will be able to investigate the process of chemical reactions, studies that typically occur in laboratory and under controlled conditions, through their simulation in ideal reactors (i.e. perfectly mixed). chemical reactions are available to the user through a single graphical interface and its use is so simple that the variation of concentration or temperature of the species concerned, in order to simulate the real operating conditions under which your system will be found, is realized in a few clicks. “The fusion of our previous chemical engineering features in a single dedicated solution, which offers within a single environment and in a simple way everything you need, will certainly represent a great advantage for our users”, continues von schenk. “The new workflow and simplicity with which different species, reactions, materials and different transport phenomena can be managed in a single solution will undoubtedly increase productivity. ”
interfaces tailored to chemical reactions, mass and energy transport and porous media flows
in order to allow users an ever more realistic simulation of the reagent systems of their interest, the chemical reaction engineering module has been equipped with an interface dedicated to the definition of chemical reactions involved, mass transport and energy and fluid dynamics in the presence or not of porous means. this interface is fully integrated into the multiphysics comsol modeling process (the product that supports the operation of this new module): the insertion of chemical reactions occurs through their simple writing (e.g. a+b=>c) in the appropriate window, then the software automatically calculates reaction kinetics and mass and energy balances. the next step is to choose the perfectly mixed chemical reactor type (batch, semi-batch, cstr or plug-flow) in which to simulate the kinetics and balances set previously.
users can make these models on a reduced scale and the exiguous computational cost, since they relate to perfectly blended reactors and therefore ideals, more realistic considering real size reactors where the dependence on space and time of physical magnitude of interest (i.e. concentrations, temperature and speed) cannot be neglected. “The chemical reaction engineering module is outstanding in guiding the designer towards the smartest solution because it allows a fast comparison between simulations made considering ideal reactors and those that consider the dependence of simulation from space and time,” explains von schenk. “We can start from an evaluation of the results obtained by a simplified model that takes into account ideal operating conditions and that allows a quick understanding of chemistry, time scales of reactions and temperatures achieved, and then switch using the same settings to a 3d model in order to investigate the reactor and process in real operating conditions. ”
the chemical reaction engineering module provides the user with a section of the interface dedicated to mass transport by diffusion, convection and migration both in diluted and concentrated solutions. according to the fundamental principle of comsol operation and that it concerns all the physics that model and simulates, to mass transport can be added the simulation of the fluid dynamic part (in presence or not of porous means) and of heat transport. Regardless of the physical involved, the model setting is fast and intuitively contradicting the same operations. users can remove and add chemical reactions and related species with very few clicks, reaction mechanisms, initial conditions and contour and material properties. Users can also try different chemical and different operating conditions, the results of each combination will be saved in separate studies that can be analyzed and compared to each other during post-processing.
import of thermodynamic properties in comsol
chemical reaction engineering module adheres to cape-open standards of modeling, simulation and design of unit operations that constitute chemical processes. This module is also able to read files in chemkin® format, which define completely, in terms of thermodynamic and physical properties, reagent systems related to gaseous phenomena such as combustion, chemistry of the atmosphere and many others.
through the cape-open wizard integrated into the chemical reaction engineering module, users can combine third-party software components in their simulations made with comsol. Moreover, the cape-open browser, also integrated into the module, allows you to browse and select thermodynamic and physical data from third-party databases in a very simple and fast way. flexibility and simplicity of use combined with opening to other software will allow users to describe in an increasingly realistic way quantities such as viscosity, density, specific heat and other thermodynamic properties of gas and liquids.
chemical reaction engineering module in synthesis
• automatic generation, based on the formulas of the chemical reactions inserted by the user, reaction kinetics and related mass and energy balances.
• combination, within the same model, of reactors perfectly mixed with their 2d or 3d version which takes into account the dependence of physical quantities of time and space interest.
• interfaces dedicated to mass transport by diffusion, convection and migration both in diluted mixtures and concentrated in presence or not of porous means.
• possibility of investigating different chemical and operating conditions by acting on reactions, chemical species and transport mechanisms within the same model by saving simulation results in separate studies that can be analyzed and compared to each other during post-processing.
• availability of predefined chemical reactors of batch type, semi-batch, cstr and plug-flow operating in continuous regime and with volume variations.
• extreme usability thanks to the possibility of inserting functions and expressions defined by the user for the inclusion of chemical kinetics and physical properties that depend on composition and temperature.
• Cape-open interface for fast calculation of thermodynamic and physical properties through connection to third-party chemical simulation software.
• import of chemkin files for reagent systems related to gaseous phenomena such as combustion and chemistry of the atmosphere.
availability
the chemical reaction engineering module is available from 28 June 2010 at the comsol offices and its worldwide network of distributors. operating systems on which it is available are windows, linux and macintosh.
users of the chemical engineering module who have a license in subscription to 30 June will receive the one-time upgrade offer without additional cost of this product at the chemical reaction engineering module plus the cfd module. more details about chemical reaction engineering module, comsol multiphysics version 4.0a and its products are available on www.it.comsol.com.
“The chemical reaction engineering module can be used to develop different types of products and processes for the most diverse markets,” comments henrik von schenk, chemical engineering product manager of comsol. “This module is particularly useful, for example, in the design of analytical instrument sensors or in the development of catalysts and filters for automotive exhaust systems. chemical reaction engineering module will show all its value if used in the development of products and processes for industries such as pharmaceuticals, consumer products and fine, basic chemistry and specialties. ”
chemical reaction module engineering combines the functionality of two previous modules, the chemical engineering module and the reaction engineering module, and the power of newly reingegnerized architecture of comsol version 4. the result is a product with new features and greater usability. with this new module users will be able to investigate the process of chemical reactions, studies that typically occur in laboratory and under controlled conditions, through their simulation in ideal reactors (i.e. perfectly mixed). chemical reactions are available to the user through a single graphical interface and its use is so simple that the variation of concentration or temperature of the species concerned, in order to simulate the real operating conditions under which your system will be found, is realized in a few clicks. “The fusion of our previous chemical engineering features in a single dedicated solution, which offers within a single environment and in a simple way everything you need, will certainly represent a great advantage for our users”, continues von schenk. “The new workflow and simplicity with which different species, reactions, materials and different transport phenomena can be managed in a single solution will undoubtedly increase productivity. ”
interfaces tailored to chemical reactions, mass and energy transport and porous media flows
in order to allow users an ever more realistic simulation of the reagent systems of their interest, the chemical reaction engineering module has been equipped with an interface dedicated to the definition of chemical reactions involved, mass transport and energy and fluid dynamics in the presence or not of porous means. this interface is fully integrated into the multiphysics comsol modeling process (the product that supports the operation of this new module): the insertion of chemical reactions occurs through their simple writing (e.g. a+b=>c) in the appropriate window, then the software automatically calculates reaction kinetics and mass and energy balances. the next step is to choose the perfectly mixed chemical reactor type (batch, semi-batch, cstr or plug-flow) in which to simulate the kinetics and balances set previously.
users can make these models on a reduced scale and the exiguous computational cost, since they relate to perfectly blended reactors and therefore ideals, more realistic considering real size reactors where the dependence on space and time of physical magnitude of interest (i.e. concentrations, temperature and speed) cannot be neglected. “The chemical reaction engineering module is outstanding in guiding the designer towards the smartest solution because it allows a fast comparison between simulations made considering ideal reactors and those that consider the dependence of simulation from space and time,” explains von schenk. “We can start from an evaluation of the results obtained by a simplified model that takes into account ideal operating conditions and that allows a quick understanding of chemistry, time scales of reactions and temperatures achieved, and then switch using the same settings to a 3d model in order to investigate the reactor and process in real operating conditions. ”
the chemical reaction engineering module provides the user with a section of the interface dedicated to mass transport by diffusion, convection and migration both in diluted and concentrated solutions. according to the fundamental principle of comsol operation and that it concerns all the physics that model and simulates, to mass transport can be added the simulation of the fluid dynamic part (in presence or not of porous means) and of heat transport. Regardless of the physical involved, the model setting is fast and intuitively contradicting the same operations. users can remove and add chemical reactions and related species with very few clicks, reaction mechanisms, initial conditions and contour and material properties. Users can also try different chemical and different operating conditions, the results of each combination will be saved in separate studies that can be analyzed and compared to each other during post-processing.
import of thermodynamic properties in comsol
chemical reaction engineering module adheres to cape-open standards of modeling, simulation and design of unit operations that constitute chemical processes. This module is also able to read files in chemkin® format, which define completely, in terms of thermodynamic and physical properties, reagent systems related to gaseous phenomena such as combustion, chemistry of the atmosphere and many others.
through the cape-open wizard integrated into the chemical reaction engineering module, users can combine third-party software components in their simulations made with comsol. Moreover, the cape-open browser, also integrated into the module, allows you to browse and select thermodynamic and physical data from third-party databases in a very simple and fast way. flexibility and simplicity of use combined with opening to other software will allow users to describe in an increasingly realistic way quantities such as viscosity, density, specific heat and other thermodynamic properties of gas and liquids.
chemical reaction engineering module in synthesis
• automatic generation, based on the formulas of the chemical reactions inserted by the user, reaction kinetics and related mass and energy balances.
• combination, within the same model, of reactors perfectly mixed with their 2d or 3d version which takes into account the dependence of physical quantities of time and space interest.
• interfaces dedicated to mass transport by diffusion, convection and migration both in diluted mixtures and concentrated in presence or not of porous means.
• possibility of investigating different chemical and operating conditions by acting on reactions, chemical species and transport mechanisms within the same model by saving simulation results in separate studies that can be analyzed and compared to each other during post-processing.
• availability of predefined chemical reactors of batch type, semi-batch, cstr and plug-flow operating in continuous regime and with volume variations.
• extreme usability thanks to the possibility of inserting functions and expressions defined by the user for the inclusion of chemical kinetics and physical properties that depend on composition and temperature.
• Cape-open interface for fast calculation of thermodynamic and physical properties through connection to third-party chemical simulation software.
• import of chemkin files for reagent systems related to gaseous phenomena such as combustion and chemistry of the atmosphere.
availability
the chemical reaction engineering module is available from 28 June 2010 at the comsol offices and its worldwide network of distributors. operating systems on which it is available are windows, linux and macintosh.
users of the chemical engineering module who have a license in subscription to 30 June will receive the one-time upgrade offer without additional cost of this product at the chemical reaction engineering module plus the cfd module. more details about chemical reaction engineering module, comsol multiphysics version 4.0a and its products are available on www.it.comsol.com.