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  Home / SOFTWARE / THERMODYNAMICS / Simulis Thermodynamics

Simulis Thermodynamics

Mixture properties and fluid phase equilibria calculations

Interoperability, integration, reusability. Simulis Thermodynamics allows anyone in industry, engineering or research to run high quality thermophysical properties calculations. These calculations can be plugged in any software of wider application range (equipment sizing, system modeling, etc) and properties are available for any kind of fluid. Simulis Thermodynamics makes open simulation a practical reality.

Features

 Reliable and accurate thermophysical properties;

 Extensive set of services (flash, data regression, phase envelopes, etc.);

Powerful pure-compound physical properties prediction tool;

Automatic splitting of user added molecules into appropriate functional groups for the predictive models (various UNIFAC, PSRK ...);

 Easy plug in common 32 and 64-bit applications  (Microsoft Excel®, MATLAB®, etc.);

 Flexible and CAPE-OPEN compliant solution.

Simulis  Thermodynamics  is  a calculation  server  for  thermophysical   properties   and   phase   equilibria  calculations on pure components and  mixtures.
It  is  available  as  a  Microsoft Excel®  add-in, a toolbox in MATLAB®  or as a  software  component  which  can  be easily plugged in any other application requiring reliable and accurate thermophysical properties.
 

Objectives
Simulis Thermodynamics provides engineers and software developers with an accurate and reliable thermophysical properties calculation server. These calculations can be integrated in any package intended for wider fields of application (equipment sizing, system modeling, etc) in order to ensure the consistency and reliability the data used and of the res
ults.
Simulis Thermodynamics is designed to:

  • Provide access to over 300 functions, in particular for calculation of any type of transport properties (specific heat, viscosity,...), of thermodynamic properties (enthalpy, compressibility factor ...) or of phase equilibria (VLE, LLE, VLLE, salt formation ...) on multi component mixtures
  • Provide access to one of the richest thermodynamic models libraries available on the market (equation of state, activity coefficients ...)
  • Provide access to a property database of more than 2000 pure components
  • Enable the engineer to focus on their application and to work with thermophysical properties calculations that are reliable, and validated through intensive usage in industrial applications


In support of your thermodynamic expertise, Simulis Thermodynamics will enable you to:

  • Use the best thermodynamic representation of your system.
  • Perpetuate your expertise with easily created "Property Packages" that include all elements needed for further calculations (pure components properties, models, interaction coefficients ...)
  • Distribute these "Property Packages" throughout your organization in order for them to be used in your usual, CAPE-OPEN compliant, software.


Simulis Thermodynamics is available in French, English and Russian.

  View the following page:

>> Simulis Suite overview

Robust and validated calculation functions

  • Simulis Thermodynamics, allows the engineer to calculate properties and phase equilibrium on single component systems or systems that include up to 2000 chemical components.
  • Thermodynamic property calculations: transport properties, enthalpy, entropy, compressibility properties, non-ideal properties...
  • Phase equilibrium calculations: liquid-vapor, liquid-liquid, liquid-liquid-vapor equilibrium (bubble and dew temperatures, bubble and dew pressures, flash at given enthalpy, phase envelope, etc...)
  • Regression calculations: functions for the fitting of experimental pure component properties, depending on temperature
  • An extensive thermodynamic models library: Soave-Redlich-Kwong, Peng-Robinson, Lee-Kesler-Plöcker, NRTL, UNIFAC etc... These models were selected for their reliability and efficiency
  • A powerful pure-compound physical properties prediction tool for molecules which are not in the database or with poor measured properties;
  • An automatic splitting of user added molecules into appropriate functional groups for the predictive models (various UNIFAC, PSRK ...);


One of the largest thermodynamic library available on the market

A database of more than 2000 components: developed from the DIPPR database and enriched with data from research projects and studies conducted by ProSim's thermodynamic experts. Furthermore, the latest release of AIChE's DIPPR® database can be added (optional).
 

  View the following documents:

>> Properties currently available in Simulis® Thermodynamics

>> Associated components database

>> Thermodynamic library

 

Easy integration in common applications

Integration and flexibility: the ability to integrate your own "proprietary" component databases or thermodynamic models.


A full set of services available

•    Graphical display of properties on temperature, pressure or composition ranges
•    Generation of property tables
•    Data regression of experimental properties
•    Estimation of pure component properties
•    Plot of phase envelope diagrams
•    Calculation of residue curves and plot of ternary diagrams
•    Calculation of petroleum fractions properties
•    Unit conversion, etc…
 

A flexible and CAPE-OPEN compliant solution

Other components provided with Simulis Thermodynamics

  • Simulis Conversions: physical units conversion management tool. This component can be plugged in any application that manipulates physical dimension in order to easily manage associated units.
  • Simulis Properties: pure substances intrinsic properties (constant or temperature dependant) engine. This component can be plugged in any application that only needs to calculate pure substances properties.


ProPhyPlus Option

Based on Simulis Thermodynamics, ProPhyPlus is a calculation software that has been developed to help run all the calculations without any programming. ProPhyPlus software allows obtaining fast, interactive, fluid phase equilibria and fluid properties in a suitable environment.


 

 

Simulis Thermodynamics:
Providing powerful calculation at reduced price

If the price of the Simulis Thermodynamics license is well below that of similar products available on the market, it is because, from the launch of the Simulis components suite, ProSim made the strategic decision to follow a new business model in which profitability is based on reduced prices and large volumes.

License prices could be significantly reduced as efficiency gains, acquired through uncommon technological choices, are transferred to the customers. In particular, these technological choices have their full effect at:

  • the development level, the main element of the software cost, the "component" based technology of Simulis, allows the re-use of existing codes to a large extent and thereby minimises development and validation costs;
     
  • the distribution level, the other major software cost element, the choice of the online internet sales as the main channel allows substantial commercial expenses reduction. A large volume is expected as studies show that, in the same company, thermodynamic calculations can be performed by many engineers and technicians, and not only by process simulation and modelling specialists. These calculations only need to be accessible in a familiar working environment such as MS-Excel for example. Furthermore, numerous fields of engineering sciences, other than process engineering, also require quality thermophysical properties. This is true of, for example, heat transfer, but also for aerodynamics, physics, hydraulics, mechanical, material, etc.

Thanks to its ability to be integrated in third party packages, Simulis Thermodynamics can be embedded in software designed for wider fields of application such as CFD (computational fluid dynamics), equipment design (heat exchangers, compressors, pipe-lines, etc.) or model based control tools . In this case, run-time licenses are proposed and the distribution is ensured by the developer himself (please consult).

The price of the Simulis Thermodynamics license is not explained by a lower quality of the tool... 'Au contraire'. Nor is this software a reduced version of a more complete product. It actually includes the complete component databases and thermodynamic models that are available in other ProSim software. It was developed by engineers for the engineers, and is the result of more than fifteen years of activity in the field and continues to be enriched by thermodynamic experts. The price of license you benefit from is only linked to the business model chosen.
 

 


Simulis Thermodynamics' interface

Compounds selection

Describe the chemical reactions   

Thermodynamic models

Calculation services under Simulis Thermodynamics

Compound details

Equilibrium calculation

Automatic generation of UNIFAC decomposition from SMILES (Simplified Molecular Input Line Entry Specification )

Data regression of pure components experimental properties

 

 

Is Simulis Thermodynamics a software or a component?

Simulis Thermodynamics is a component that is  available  as  a  Microsoft Excel®  add-in, a toolbox in MATLAB®  or as a  software  component  which  can  be easily plugged in any other application requiring reliable and accurate thermophysical properties.

For instance, here is a screenshot of Simulis Thermodynamics in Excel. After, you can easily build your calculations spreadsheets.