Thermodynamics Simulation Software

Thermo-Calc Educational is a limited version of Thermo-Calc that is intended only for educational purposes in an academic environment.
  • It is limited in the sense that calculations can only handle three components or fewer.
  • The Add-on Diffusion Module (DICTRA), Precipitation Module (TC-PRISMA), and Process Metallurgy Module are also included and are limited to three components as well.
  • In comparison, the full version of Thermo-Calc and the Add-on Modules can handle systems with up to 40 components.
  • The Thermo-Calc Educational license for free software is valid for one full year and can be downloaded again as needed.
  • Thermo-Calc Educational comes with several demonstration databases that include thermodynamic, properties, and mobility data.
  • While significantly smaller than our standard databases, the demo databases included with the free thermodynamics and properties software package are sufficient for solving the included examples.
  • If you are interested in our full databases, you can read about them in the database section.
  • ALDEMO: Includes Al, Cu Si, Sc, and Zr (subset of TCAL).

FEDEMO: Includes Fe, Cr, Mn, Ni, and C (subset of TCFE).

NIDEMO: Includes Ni, Cr, and Al (subset of TCNI). CUDEMO: Includes Cu, Ti, and Zr (subset of TCCU).

SLDEMO: Includes Ag, Cu, and Sn (subset of TCSLD).

OXDEMO: Includes Al, C, Ca, Fe, O, S, and Si (a subset of TCOX).

SUBDEMO: Includes C, H, Fe, and O (subset of SSUB).

PAQ2: Public Aqueous Solutions Database: Includes: H, Na, Cr, Fe, Co, Ni, C, N, O, S, and Cl.

PG35: G35 Binary Semi-Conductors: Includes: Al, Ga, In, P, As, and Sb.

PURE5: Includes critically assessed unary thermochemical data for the concerned elements. The PURE5 database is only intended for extracting data for the pure elements when performing assessment work, or for tabulating or plotting thermodynamic properties of the pure elements.

MALDEMO: Includes Al, Cu Si, Sc, and Zr (subset of MOBAL).

MFEDEMO: Includes Fe, Cr, Mn, Ni, and C (subset of MOBFE).

MNIDEMO: Includes Ni, Cr, and Al (subset of MOBNI). MCUDEMO: Includes Cu, Ti, and Zr (subset of MOBCU).

Computerized Thermodynamics for Materials Scientists and Engineers by Mats Hillert and Malin Selleby, Stockholm (2018).

This is a 60 page PDF book that includes topics and exercises related to:.

First and second laws of thermodynamics.

Driving force and dissipation. Gibbs-Duhem relation.

Gibbs phase rule. Adiabatic changes.

Characteristic state function and Gibbs energy model. Constitution and constituents. Ideal solutions and related non-ideal solutions. Dilute solutions. The ideal gas model.

Thermal vacancies. Suggested solutions to the book exercises are included in the teaching material.

Both PDF and MS PowerPoint slides are included to accompany the textbook.

Chapter 1: Basic Thermodynamics. Chapter 2: Solution Models. A set of computer exercises developed for students to work with the thermodynamics and kinetics software. The examples are of three general categories:.

Thermodynamic properties of elements and compounds.

Equilibria in gases. Some example exercises include:.

Define the system Co. What phase is most stable at 1 bar and 1000K?

Evaluate the molar Gibbs energy of the compound Fe3C at 1000 °C.

Calculate the ternary phase diagram W-Co-C at 1 bar and 1400 °C.

Perform the calculation by varying the mole percent of Co and C.

Compute the carbon activity of a gas made by mixing 1 mole of H2 and 1 mole of CH4 at 1 bar and 1200 K.

Solutions to the computer exercises are included in the teaching material.

By: AVEVA Group plc. Extend the value of simulation to anyone who can use it, a customizable portal to facilitate the bi-directional exchange of information between AVEVA Process Simulation software and Microsoft®Excel.

Reduce the engineering time required to complete a design project by allowing users to automate calculations.

Drag-and-drop features along with the calculation capabilities of Excel, allow users to quickly and easily automate processes.

Integrates with AVEVA PRO/II Simulation, PIPEPHASE Pipeline Network Design, VISUAL FLARE Safety Relief Design, and AVEVA Process Optimization.

Provides several options for bringing data into Microsoft Excel and.

Run “what-if” scenarios to evaluate changing feed or process conditions.

Study maintenance options for best process performance.

Investigate the effects of removing equipment for maintenance.

Examine processes to better understand operations.

Quickly review process alternatives should problems arise. Test process changes to optimize plant performance.

Create custom calculations within Excel for line sizing or equipment sizing and costing.

A Developer can construct the Portal Workbook, set the layout, select which variables to display, and set variable manipulation limits for the user.

A User is someone with less simulation experience who must run the simulation to access information.

Novice process operators, maintenance staff, engineers, and management are some user types.

Easily create an Excel spreadsheet that is linked to a chosen simulator, allowing the bidirectional transfer of applicable variables.

AVEVA creates industrial software that inspires people to shape the future.

We believe industry advancement should enhance the human experience.

Formerly Known As PRO/II Process Engineering.

A simulator that optimizes plant performance improves your process design and operational analysis by performing engineering studies.

Formerly Known As SimCentral Simulation Platform. Design sustainable processes, products, and plants at the speed the market demands.

AVEVA Process Simulation moves beyond linear, wasteful workflows to enable a circular, sustainable world.

Formerly Known As SimSuite Pipeline Trainer. Train pipeline operators on normal and abnormal conditions with realistic pipeline hydraulics, SCADA functionality, and equipment logic.

Formerly Known As ROMeo Process Optimization. Process Optimization uses real-time process and economic data to determine setpoints that guarantee a maximum operating profit.

Find out more today! Simulation software to model steady-state multiphase flow in oil and gas networks and pipeline systems.

ProPhyPlus is a thermodynamic calculation software. It provides a Microsoft-Windows based interface that makes full use of the graphical and functional capabilities of the platform, allowing unmatched prediction, evaluation, analysis and use of high-quality physical properties.

ProPhyPlus also implements the standardized CAPE-OPEN interfaces (“Thermodynamic plug” and “Thermodynamic socket”).

It generates “Property Packages” (compound package and adapted thermodynamic profile) that can be used with other simulation applications that are CAPE-OPEN compliant.

Furthermore, third party thermodynamic packages can be used in ProPhyPlus. Thermodynamic plug: provides the ability to generate “Property Packages” that can be used with CAPE-OPEN compliant applications.

Thermodynamic socket: provides the ability to use a CAPE-OPEN “Property Package” generated by a third party application.

ProPhyPlus is an advanced and convenient standalone software dedicated to the calculation of thermophysical properties (thermodynamic and transport) of fluids and their mixtures, over a wide range of temperatures and pressures.

It provides quick access to fluid phase equilibria and thermodynamic properties of pure components and mixtures.

Thanks to its power and user friendliness, the analysis of single and multi-components mixtures thermodynamic behavior has never been so easy.

Property calculation results and graphs can be obtained with only a few clicks and then further processed to have an in-depth understanding of the phenomenon involved.

ProPhyPlus does not require any programming skills and quickly becomes an essential calculations tool for the engineer.

ProPhyPlus accurately models physical properties and phase equilibria for most fluids found in Chemical, Petrochemical, Refining, Oil and Gas and other process industries.

The price includes a valid license for the chosen duration, from the purchase date.

The price also includes a free license of Simulis Thermodynamics. MUTS services (Maintenance, Update, Training and Support) are provided during the duration of the contract.

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.

Internet access to download the software and the license.

AxCYCLE is a thermodynamic simulation software which allows users to quickly and easily design, analyze and optimize various thermodynamic cycles (thermodynamic simulation and heat balance calculations) in a user-friendly and flexible environment, from a restricted amount of known data.

The tasks user can solve with AxCYCLE™ include:. Design new thermodynamic cycles from scratch.

Analyze existing thermodynamic systems and their performance at design and off-design conditions.

Redesign, optimize, rerate and upgrade existing plants.

Troubleshoot and correct efficiency/reliability issues in existing hardware.

AxCYCLE™ allows performing calculations on multiple types of cycles (Brayton, Rankine, etc.) and applications (with specific components) including:.

Fossil Steam Power Plants.

Nuclear Steam Power Plants. Cooled and Uncooled Gas Turbine Plants.

Aerospace Gas Turbines Engines. Combined Cycles (gas-steam, gas-sCO2, etc.).

Cogeneration Cycles. sCO2 (supercritical carbon dioxide) Cycles.

ORC (Organic Rankine Cycles). Geothermal Cycles. Molten Salt Cycle.

Waste Heat Recovery Cycles and Systems. Heat Pumps Cycles/Refrigeration Cycles.

AxCYCLE has several fluid libraries:.

General Fluids – Includes steam/water, standard air, carbon dioxide, natural gas, etc.

COOLPROP – Contains over 45 fluid options (free database).

NIST REFPROP – Propane, ethanol, refrigerants, CO2 and more (required third-party application).

NIST Mixture – Contains several NIST mixtures. Combustion Products – Includes more than a dozen typical fuels combustion product.

Thermal Oils – Contains therminol thermal oils which can be used for indirect waste heat recovery systems.

Molten Salts – Contains several molten salts.

Additionally, custom fluids, custom mixtures and custom combustion products can be used in cycles.

Cooling flows and secondary flows can be thermodynamically analyzed using AxCYCLE by modeling the complete gas turbine with turbine, compressor, combustion chamber, extractions, injections, etc.

while automatically recalculating the fluid properties at each component’s inlet and outlet.

Starting from the selection of components using drag-and-drop from respective libraries (turbomachine, heat exchange, engine, library of gas turbine engines, library of internal combustion engines, burner, separation, mixing, valve, seal, generator/motor, etc.), users progress with the cycle assembly as desired to model an infinite number of different systems.

After the cycle assembly the engineer needs to specify the data necessary to run calculations.

As a conceptual 0D tool, AxCYCLE uses only the basic thermodynamic parameters of the components such as pressure, enthalpy, temperature, fluid quality and basic performance parameters such as efficiency and pressure loss.

No mechanical or geometric data is required which makes it extremely convenient and adapted to investigate concepts when the components of the system have no defined characteristics as well as to study existing systems where some geometric/mechanical data may be unknown.

Each parameter in AxCYCLE can be either inputted or calculated. This allows for an enhanced flexibility of problem formulation to, for example, calculate mass flow rate or heater outlet temperature based on given boundary conditions and power requirement or specify the flow rate and boundary conditions to obtain power.

Additionally, multiple options are available for different components to be modeled in specific ways; for example heat exchangers can be characterized by their efficiency or pinch point, turbines can be conceptual or behave as per existing hardware, etc.

For steam cycles the embedded Steam Cycle Wizard tool allows simplifying the components selection, cycle assembly, property type specification and boundary conditions input through an easy-to-use interface.

Thermodynamic cycles can be analyzed at their design point or at off-design conditions to calculate power production, heat and fuel consumption, rejected heat, thrust, thermal efficiency, etc.

Embedded P-H and T-S diagrams allow reviewing the thermodynamic process of the current system and also allow superimposing the characteristics of other cycles as a mean of comparison.

Printer-friendly simulation results (reports) can be automatically generated.

AxCYCLE systems and their components can be exported to the AxCYCLE Economics™ module to evaluate the capital costs, payback period, levelized cost of electricity, influence of renovations on ROI, etc.

AxCYCLE can also be linked to the AxSTREAM® platform to:.

Extract boundary conditions for turbine, compressor and pump conceptual design.

Import turbomachine performance maps to study cycle at design and off-design conditions using actual efficiency values.

In addition to design point calculations AxCYCLE includes several tools for system off-design calculation, parametric study and optimization tasks.

MAP is a multi-run tool used to run a series of calculations for one or two variables.

AxCYCLE MAP is a very effective tool to study the influence of operational parameters on cycle performance.

It is the ultimate tool to calculate cycle performance curves as it can automatically take into account components off-design efficiency based on the boundary conditions inputted or calculated; these include for example the dependency of efficiency on turbomachinery components rotation speed and pressure ratio, the influence of component aging, or can be used to study the effects of variations of operating conditions and component parameters on cycle performance.

AxCYCLE is fully capable of thermodynamic cycles optimization calculations including through the use of a DOE approach (Design Of Experiment) in the PLAN tool.

This multivariable tool can be run for any combination of input and output parameters within dozens available (up to 20 variables can be selected at once).

The DOE engine itself selects values within the provided range, in an optimized way, to minimize the number of solver runs required to optimize a cycle.

The obtained results are used to build “response surfaces” that are used as abstract models for optimization.

The QUEST tool inside AxCYCLE is a quasi-random search algorithm which can be used to optimize combinations of parameters within a given range, for as many design variables as desired and for any given number of combinations of parameters.

Results are plotted on a 3D design space which allows easily reviewing the best combination of values for a given task while allowing users to set filters to customize and refine the optimization task.

To study several cycle load points the AxCYCLE CASE tool is generally used.

It allows users to specify the desired value for each of any number of variables to select in order to analyze how the system would behave under different conditions.

For enhanced user experience AxCYCLE CASE is fitted with an option to interface to and from spreadsheets containing results and/or values for the different parameters selected.

Some examples of CASE tasks include studying the performance of the given cycle upon opening or closing of valves, analyzing the required boundary conditions to obtain a given take-off vs cruise thrust for an aerospace gas turbine or hourly energy demand of a power plant.

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Rankine Cycle

Rankine cycle using water to generate work

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Ranque-Hilsch Vortex Tube

Hilsch tube separates compressed air into a hold and cold stream

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Reading a Psychrometric Chart

How to read a psychrometric chart

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Refrigeration Cycle Coefficient of Performance

Calculate coefficient of performance for refrigeration cycle

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Reversible and Irreversible Expansion or Compression Work

Expansion or compression work for ideal gas in piston-cylinder system

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Simulation of a Simple Gas Pressure Model

Molecules collisions with container walls lead to pressure of gas

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Single-Component Fugacity

Fugacity of single component as function of temperature or pressure

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Single Component P-V and T-V Diagrams

van der Waals equation of state to generate isotherms and isobars

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Temperature Changes in an Ideal Gas

Ideal gas heated or cooled at constant pressure or constant volume

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Three Intermolecular Potential Models

Three models for intermolecular potentials

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Throttling High-Pressure Water

Water expands adiabatically to lower pressure through valve

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Temperature-Entropy Diagram for Water

Temperature-entropy diagram for water

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Atomic Interactions - PhET

Attractive and repulsive forces between two atoms

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Gas Properties - PhET

Pump gas molecules to a box and see what happens as you change the volume, add or remove heat, and more

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States of Matter - PhET

Phase changes as heat is added or removed

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