Thermopack: A Free Object-Oriented Thermodynamic and Process Engineering Library

Description

Thermopack is a library in C++ which shall provide procedures needed in process engineering calculations. The package is divided into following parts

• thermodynamic library - original part of thermopack - under GNU copyleft. Following classes are provided:
  • Liquid densities
  • Equations of state - liquid/vapor phase
  • Activity coefficients/Gibbs excess enthalpies - non ideal behaviour of liquid phases
  • Particle dynamics
  • Plotting functions for Gnuplot
  • Pressure drop calculations
  • Power/agitation/... numbers for different types of stirrers
  • Heat capacity for liquid/vapor phase
  • Physical property estimations
  • Heat conductivity for liquid/vapor phases
  • Viscosity for liquid/vapor phases
  • Bubble diameter calculations in gas/liquid systems
  • Heat transfer calculations
  • Pure and mixed component data base system
  • Hold up calculations for gas/liquid systems
  • Calculations for the states in compressible flow systems (ideal gas)
  • iapws_if97 for water/steam
  • Saturation pressure calculations for liquid phases
  • Most important physical constants
  • Ideal gas Enthalpy and entropy calculations
  • Solubility of gases in liquids - Henry
  • Diffusion coefficent calculations for liquid and/or vapor systems
  • Reaction stoichiometry calculations
  • Dimensionless numbers (Reynolds, ...)
  • Calculations of reactions rates in chemical systems with different types of reactions rate equations
  • Liquid/vapor surface tension
  • Dispersion coefficient calculations
  • Thermodynamic calculations according to equations of state systems
  • Calculation of effective area for mass transfer in liquid/vapor systems
  • Mass transfer calculations according to Maxwell-Stefan mass transfer theory
  • Calculation of physical units from and to SI-units
  • Enthalpy of vaporization for liquid systems
  • Models for aerocyclones
  • Models for filtrations
  • Models for hydrocyclones
  • Models for P/I/D/PID/PI/PD controllers
  • Models for nozzles
  • Models for evaporators - boiling crisis etc.
  • Models for separators
  • ... and some other stuff
• A solver/numeric library - each package has its own license agreements
  • DASPK: Differential algebraic solver
  • lapack/blas routines
  • LSODE: ODE solver
  • NEWMAT: A matrix and vector class
  • OPTPP: An optimization package in C++
  • NLEQ1S: Sparse non-linear equations solver
  • NLEQ2: Dense non-linear equations solver
  • quadpack: Quadrature package:
• Language library: An equation oriented modeling system for non-linear equations, differential algebraic systems and optimization of these systems - under GNU copyleft
  • Classes for equation oriented mass balances
  • Classes for defining equation oriented optimization
  • Classes for defining equations for tube reactors
  • Classes for defining equations for check valves
  • Classes for defining equations for mixers
  • Classes for defining equations for splitters
  • Classes for defining equations for columns
  • Classes for solving equations oriented DAE systems
  • Classes for defining equations for streams
  • Classes for defining equations for controllers
  • Classes for solving equations oriented NLEQ systems
  • Classes for defining equations for thin film evaporators
  • Classes for defining equations for flashes
  • Classes for solving equations oriented optimzations problems
  • Classes for defining equations for TPxxy phase equilibrium calculations

Availability

Thermopack 0.9.5 is available at the moment for PC's under linux and the following system requirements under the GNU General Public License. Mailing list has following locations:

• Developers Mailing List: herwig.landschuetzer@liwest.at

Bug Fixes and Updates

• Refer to file ChangeLog

System requirements

Download

Installation

Documentation

Documentation at the moment in the include files - doxygen!

Documents and Introduction

If You are a little bit interested in basic understanding - there are some documents which give information on

• Good practice guidelines for use of computers by chemical engineers
• the philosophy of modeling
• basic knowledge of non linear algebraic equations (NLS)
• basic knowledge of ordinary differential equations and differential algebraic equations (ODE, DAE)
• basic knowledge of optimization
• example STS 2007 example

Future Development

• Autoconf/Automake based configure script
• The latest equations of states also in conjunction with gibbs excess enthalpy models
• and much more ..... - if You have ideas - let me know!

Anybody who is interested in working at this project is invited - please mail!

Current Developers

Contacts

For questions, comments, or more information, please contact the Thermopack developers.

You were visitor number since 2007.  This page was last modified by Herwig Landschützer, November 01, 2012. The counter is sponsored by www.digits.com.