Graphical User Interface (GUI) for the analysis of Gibbs Energy surfaces, including LL tie-lines and Hessian matrix

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Title: Graphical User Interface (GUI) for the analysis of Gibbs Energy surfaces, including LL tie-lines and Hessian matrix
Authors: Reyes-Labarta, Juan A. | Olaya, Maria del Mar | Marcilla, Antonio
Research Group/s: Computer Optimization of Chemical Engineering Processes and Technologies (CONCEPT)
Center, Department or Service: Universidad de Alicante. Departamento de Ingeniería Química
Keywords: Equilibrium calculation | Phase Equilibrium | NRTL | Gibbs | Hessian | Tie Line | Liquid-liquid | Thermodynamic
Knowledge Area: Ingeneriería Química
Date Created: 13-Nov-2015
Issue Date: 27-Nov-2015
Abstract: (Updated version) A single and very easy to use Graphical User Interface (GUI-MATLAB) based on the topological information contained in the Gibbs energy of mixing function has been developed as a friendly tool to check the coherency of NRTL or UNIQUAC parameters obtained in a correlation data procedure. Thus, the analysis of the GM/RT surface, the GM/RT for the binaries and the GM/RT in planes containing the tie lines should be necessary to validate the obtained parameters for the different models for correlating phase equlibrium data. NRTL or UNIQUAC (including Z, ri, qi and q'i parameters) models are the ones that can initially be used (by defect) to calculate the GExcess. However, any other alternative model (with a maximum of 19 parameters) could be easily included.
Sponsor: Universidad de Alicante
URI: http://hdl.handle.net/10045/51725
Language: eng
Type: software
Rights: Attribution-NonCommercial-NoDerivatives 4.0 International License. Only for teaching/research and academic uses.
Peer Review: no
Appears in Collections:INV - CONCEPT - Recursos Audiovisuales y Multimedia
Docencia - Ingeniería y Arquitectura - Recursos Educativos
Docencia - Ciencias - Recursos Educativos

Files in This Item:
Files in This Item:
File Description SizeFormat 
GMcal_TieLinesLL_RUA.rarGM topology Gui and instructions13,41 MBUnknownOpen
ThumbnailThermodynamic_Introduction_GM_Topology_RUA.pdfThermodynamic review (GM Topology)11,33 MBAdobe PDFOpen Preview
ThumbnailUser_Instructions_GUI_GM_TOPOLOGY_RUA.pdfUser instructions4,61 MBAdobe PDFOpen Preview


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