Simulis Thermodynamics

Mixture properties and fluid phase equilibria calculations (Add-in)

Simulis  Thermodynamics  is  a calculation  tool 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. 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.

As demonstrated by a recent survey performed by the AIChE (American Institute of Chemical Engineers), most of the time (over 70%) a complete and reliable solution for physical properties calculation such as Simulis Thermodynamics, is enough when working on a project that requires thermodynamic data.



Main 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 calculator  for  thermophysical   properties   and   phase   equilibria  calculations on pure components and  mixtures.

Phase envelope calculations (Thermo) - engineering chemical calculations

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.



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 results.
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 2300 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.



Hardware requirements

Intel (or equivalent) based PC with:

  • 2 GB RAM or more (4 GB recommended).
  • 32-bit or 64-bit operating system such as Microsoft Windows XP, Vista, Windows 7, Windows 8, Windows 10, Windows Server 2003, Windows Server 2008, Windows Server 2012, Windows Server 2016, Windows Server 2019 (please consult for other systems).
  • At least 2 GB free disk space after install for optimal desktop performance.
  • Microsoft Excel™ 32 bits or 64 bits.
  • Internet access to download the software and the license.



Powerful thermodynamic calculator in Excel: Simulis Thermodynamics

Calculator of thermodynamic properties




Robust and validated calculation functions

  • Simulis Thermodynamics, allows the engineer to calculate properties and phase equilibrium on single component systems or systems that include over 2300 chemical components.
  • Thermodynamic properties calculator: transport properties, enthalpy, entropy, compressibility properties, non-ideal properties…
  • Phase equilibria calculations: vapor-liquid, liquid-liquid, vapor-liquid-liquid (bubble and dew temperatures, bubble and dew pressures, isentropic flash…), vapor-liquid-solid.
  • 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 …);
  • Exergy calculation: exergy, also known as “available energy” or “useful energy”, is a valuable indicator when one is interested in reducing the energy consumption of processes. Functions make it possible to calculate the exergy of a stream and to quantify its chemical and physical components.



One of the largest thermodynamic library available on the market

A database of more than 2300 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).



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.



Watch the recorded webinar: How to easily access thermophysical properties and rigorous thermodynamics in Excel ?


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