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| ProSimPlus HNO3 |
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December 2008 new features summary |
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The following is a summarized presentation of the newest developments brought to the ProSimPlus HNO3 software.
They correspond to new functionalities or significant changes in the software. Corrections and minor developments are not listed. The technical details and utilization of these features are made available to ProSimPlus HNO3 users and are described in the user’s manual of the software
New graphical user interface
This version of ProSimPlus HNO3 presents a new graphical user interface (GUI). While the general philosophy of the previous interface is unchanged, the convenience and the flexibility are greatly improved.
The new features include in particular:
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Worksheet properties: It is now possible to specify the size of the worksheet in order to fit it best to the size of the flowsheet. The resizing can be made at any moment. |
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Labels, texts and images insertions: It is now possible to show a label for unit operations, as it was possible for the streams. The content of these labels can be freely defined in the unit operation window. They can be moved and they will follow the movement of the graphical item they are associated with. It is also possible to modify the color, size, or font used in the label. Texts and images can also be inserted in the flowsheet area. They will remain independent from any unit operation.
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Basic graphical shapes insertions: Some basic shapes can be used to improve the readability of the diagram. The user can add rectangles, ellipses anywhere on the worksheet. Their properties (color, size, border…) can be modified at will. Each graphical item can be brought forward or pushed backward, in order to arrange the diagram properly. |
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Zoom function: A zoom function was implemented. The zoom level is defined in percent and chosen by the user among default values. The user can also zoom in and out with the combination “Ctrl & mouse wheel”. |
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Tree view: The tree view of unit operations and streams allows searching unit operation or streams more effectively within complex processes that include numerous equipment and / or subflowsheets. The user can quickly find a unit operation with the sorting and searching features available or by typing the first letters of the item name.
A simple click on an item in the tree view selects its corresponding visual in the flowsheet. A double click opens the configuration window of the item. |
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Multiple views of the flowsheet: A multiple view system was implemented in order to allow the user to create separate views of the same flowsheet. Each view created appears in a specific tab. Although changes brought to the flowsheet in a view will affect all the other, the level of zoom and the positioning of the flowsheet remain independent. This allows isolating certain parts of the project and accessing them more quickly. This feature also allows printing only a part of the flowsheet. |
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Subflowsheets: Subflowsheets allow the user to simplify the most complex flowsheet by dividing them in smaller diagrams. It consists in transferring a selection of unit operations in a new subflowsheet or in an existing flowsheet. |
Aside from the graphical features, some functions have been added to the interface in order to allow a quick and easy access to simulation results.
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Scriptlets: The scriptlets are used to perform "small" VBS scripts from the graphical user interface. As they have access to all the data and possible results of the project, they can be used for many applications: oxidation degree calculation, plotting of graphs, call to Simulis calculations services with initialization of the values, sending of the project by e-mail, creation of MS-Excel file with one or several process specifications spreadsheets, etc. |
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Summarized view of connected streams: In each unit operation configuration window, the “streams” tab was added. It shows a summarized view of the properties on the streams connected to the unit operation. It is possible to add other streams of the flowsheet to the display in order to compare them conveniently. |
Thermodynamics
Thermodynamic is essential to obtain reliable simulation. Major changes have been brought to ProSimPlus HNO3 thermodynamic module in order to provide a more complete and convenient environment to set up the thermodynamic system.
In particular compounds and thermodynamic models are now managed by Simulis Thermodynamics. One or several "Calculator" can be defined and each of them is associated to a list of compounds and a thermodynamic model.
Clicking on the thermodynamic icon also provides access to the graphical user environment of Simulis Thermodynamics and its many associated functions: edition of compounds, calculation services, creation of "Property Packages" that associate a list of compounds and a thermodynamic model.
ProSimPlus HNO3 users now benefit from a very flexible and convenient environment to define the thermodynamic profile(s) used in the process.
It is to be noted that compatibility with databases created with Component Plus is ensured
In addition the following functions were implemented:
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Binary interaction parameters estimation with UNIFAC contribution group method: A new service allows the user to estimate binary interaction parameters for activity coefficient models such as Wilson, NRTL and UNIQUAC, from a predictive UNIFAC type model. |
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TS, PH, PV diagrams plotting: A new service for the plotting of TS, PH and PV graphs was implemented in Simulis Thermodynamics and is therefore available in ProSimPlus HNO3 |
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Equilibrium constant and surface tension calculation: The calculation of equilibrium constant and surface tension was added to the list of calculation services associated to the Calculator |
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Equilibrium calculation from GIBBS free energy: The calculation of equilibrium from GIBBS free energy was added for the equilibrium NO2 <=> N2O4 and for N2O3 formation (NO + NO2 <=> N2O3). |
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Oxidation kinetics: Calculation of kinetic oxidation of NO (NO + ½O2 <=> NO2) was improved to take into account the reverse reaction in high temperatures. The development consisted in integrating a new kinetic model for the calculation of the reaction in the following unit operations: Oxidation reactor , Measurement , Simple heat exchanger , Generalized heat exchanger HNO3, Nitrous vapor condenser |
CAPE-OPEN 1.1 compliance
ProSim thermodynamic module, Simulis Thermodynamics is CAPE-OPEN 1.0 and 1.1 compliant. This module implements the “Thermodynamic Plug” and “Thermodynamic Socket” of CAPE-OPEN 1.0 and 1.1 standards. This allows the user to generate “Property Packages” that can be used in other CAPE-OPEN compliant simulation environments but also to use through the module thermodynamic models generated by third parties software, in the most recent format.
The CAPE-OPEN compliance is also brought to the unit operation level. This makes it possible to utilize in a ProSimPlus HNO3 flowsheet a compliant module from another software provider.
New technical features
Feed module
The FEED module allows the user to specify if the calculation on the stream should take into account the dimerization equilibrium NO2 <=> N2O4 and the equilibrium constant calculation constant (vapor streams only). The user can now choose to run the calculation from GIBBS free energy, in addition to the KOUKOLIK – MAREK or BODENSTEIN methods.
Plug Flow Reactor module
The PLUG FLOW REACTOR module was added to the unit operation library of ProSimPlus HNO3. It makes it possible to represent the operation in steady state of a tubular flow reactor in which the hydrodynamics corresponds to an "ideal plug" type flow and to take into account equilibrium chemical reactions or reactions with controlled or complex kinetics. Moreover, for the temperature profile inside the reactor calculation, various options are possible. In particular, it is possible to describe an external jacket in which circulates a co-current or counter-current service fluid.
Oxidation Reactor module
The OXIDATION REACTOR unit operation solves the mass and energy balances of a reactor performing the oxidation of the nitrogen monoxide NO in gas phase. This module was improved in order to take into account the reverse reaction (2NO2 => 2NO + O2) and to use the GIBBS model to calculate the equilibrium constant of the reaction 2NO2 <=> N2O4.
It is also possible to deactivate the calculation of limit temperature of oxidation.
Measurement module
The MEASUREMENT module makes it possible to extract from a stream the value of a variable (temperature, pressure, total flowrate, and partial flowrate or composition) and to compare this value with a set point. It is connected to a material input stream and a material outlet stream and must be associated to an outlet information stream. This module was modified in order to allow the user to specify the NOx content or the NO oxidation degree.
Plate Oxido-absorption column module
The PLATE OXIDO-ABSORPTION COLUMN module was enriched with:
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The possibility of adding a corrective factor on the absorption efficiency calculation. This factor can be defined on each plate and the missing values are calculated by linearization of provided values. |
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The possibility to select a model for the Henry constant calculation different from the one used in the prediction of NO2 and N2O4 solubility in liquid phase. |
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Distillation columns profiles
At the end of a simulation, a "Profiles" tab is created for the following multi-stage separation unit operations: absorber with a reboiler, distillation columns, oxido absorption columns. All column variables (graph and tabulated values) can then be displayed with a double-click on the name of the profile.
Definition of a process feed from external sources
The user can define the process feed from an external data source, in particular, from a material stream data, calculated in a different simulation (.xmlz file). This link can be automatically updated when the source file is modified.
User or standard unit systems
The unit management system in ProSimPlus HNO3 was replaced by the software component Simulis Conversion. From now on, two systems of units can be managed, one for the edition (data input), the other for the report (the second was the only existing system in the previous version of the software).
If necessary, it is possible to force the application of the edition unit system to the values of the modules already described by selecting "Apply the unit system for edition everywhere". All the data already supplied to describe the modules are then converted to the user defined unit system.
It is also possible to enrich the unit data base, to select a predefined system or to create new reference unit systems thanks to the system editing program. It should be noted that the units systems and conversion tools can be accessed directly from the Windows scripts modules.
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