Abstract
| Original language | English |
|---|---|
| Title of host publication | Advanced Gibbs Energy Methods for Functional Materials and Processes |
| Subtitle of host publication | ChemSheet 1999-2009 |
| Place of Publication | Espoo |
| Publisher | VTT Technical Research Centre of Finland |
| Pages | 28-45 |
| ISBN (Electronic) | 978-951-38-7331-8 |
| ISBN (Print) | 978-951-38-7330-1 |
| Publication status | Published - 2009 |
| MoE publication type | Not Eligible |
Publication series
| Series | VTT Tiedotteita - Research Notes |
|---|---|
| Number | 2506 |
| ISSN | 1235-0605 |
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ChemSheet - from computational thermodynamics to spreadsheet engineering. / Koukkari, Pertti; Petersen, Stephan.
Advanced Gibbs Energy Methods for Functional Materials and Processes: ChemSheet 1999-2009. Espoo : VTT Technical Research Centre of Finland, 2009. p. 28-45 (VTT Tiedotteita - Research Notes; No. 2506).Research output: Chapter in Book/Report/Conference proceeding › Chapter or book article › Professional
TY - CHAP
T1 - ChemSheet - from computational thermodynamics to spreadsheet engineering
AU - Koukkari, Pertti
AU - Petersen, Stephan
N1 - Project code: 26639
PY - 2009
Y1 - 2009
N2 - ChemSheet is one from the internationally renowned ChemSage/FactSage family of thermochemical calculation programs, which are extensively used in universities as well as in corporate and government laboratories. With its pioneering Excel interface, ChemSheet offers new possibilities and practical advantages to both scientists and engineers in the use of thermochemical calculations across a wide spectrum of applications by providing the easy-to-use spreadsheet approach towards complex thermodynamic multi-phase problems. ChemSheet offers the same library of subroutines for data handling and phase equilibrium calculation purposes, which are included in the ChemApp Gibbs energy solver. In addition to the predetermined mass balance constraints, which are used for chemical and phase equilibria in Gibbs energy calculations, within the frame of ChemSheet it is easy to use dynamic and immaterial constraints. They allow for calculation of systems controlled by work factors (either systemic or externally induced) as well as of processes controlled by chemical reaction kinetics. Thus, solving e.g. surface and interface energies, Donnan potentials and simulation of chemical or biochemical reaction pathways can be performed.
AB - ChemSheet is one from the internationally renowned ChemSage/FactSage family of thermochemical calculation programs, which are extensively used in universities as well as in corporate and government laboratories. With its pioneering Excel interface, ChemSheet offers new possibilities and practical advantages to both scientists and engineers in the use of thermochemical calculations across a wide spectrum of applications by providing the easy-to-use spreadsheet approach towards complex thermodynamic multi-phase problems. ChemSheet offers the same library of subroutines for data handling and phase equilibrium calculation purposes, which are included in the ChemApp Gibbs energy solver. In addition to the predetermined mass balance constraints, which are used for chemical and phase equilibria in Gibbs energy calculations, within the frame of ChemSheet it is easy to use dynamic and immaterial constraints. They allow for calculation of systems controlled by work factors (either systemic or externally induced) as well as of processes controlled by chemical reaction kinetics. Thus, solving e.g. surface and interface energies, Donnan potentials and simulation of chemical or biochemical reaction pathways can be performed.
M3 - Chapter or book article
SN - 978-951-38-7330-1
T3 - VTT Tiedotteita - Research Notes
SP - 28
EP - 45
BT - Advanced Gibbs Energy Methods for Functional Materials and Processes
PB - VTT Technical Research Centre of Finland
CY - Espoo
ER -