The RAPID Center for Process Modeling (CPM) team has developed a number of adsorption thermodynamics models. Six separate models developed under this effort are currently available for use.
Link to Project: https://rapid.aiche.org/projects/formation-rapid-center-process-modeling
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Associated Content
Thermodynamic Langmuir Isotherm and Isosteric Heat of Adsorption Model
About
The RAPID Center for Process Modeling team at Texas Tech University has developed a model illustrating their Thermodynamic Langmuir Isotherm work. This package provides the MATLAB files to estimate pure component tL isotherm parameters and its isosteric heat of adsorption. User can choose any of the tL model based on the availability of experimental data types.
RAPID Content File Info
Model files include the initial implementation in MATLAB and a simple example (CO2 isotherm data on zeolite H-mordenite at 303.15 K temperature)
Content File
Licensing Info
The thermodynamic Langmuir isotherm model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University, patent pending U.S. application 62/860,319 filed on June 12, 2019. RAPID members are free to use the model for internal research purposes, but any commercial applications will require the member to negotiate a non-exclusive license from the Texas Tech Office of Research Commercialization. For information on licensing, please contact David McClure, Director of Licensing at Texas Tech University at david.mcclure@ttu.edu.
Acknowledgment for Software
This material is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced Manufacturing Office Award Number DE-EE0007888.
Thermodynamic BET Isotherm Model
About
The RAPID Center for Process Modeling team at Texas Tech University has developed a model illustrating their Thermodynamic BET Isotherm work. This package provides the MATLAB files to estimate pure component tBET isotherm parameters. User can choose the tBET model based on the availability of any experimental data types.
RAPID Content File Info
Model files include the initial implementation in MATLAB and a simple example (N2 isotherm data on TiO2 (anatase) at 78.2 K).
Content File
Licensing Info
The thermodynamic BET isotherm model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University. RAPID members are free to use the model for internal research purposes, but any commercial applications will require the member to negotiate a non-exclusive license from the Texas Tech Office of Research Commercialization. For information on licensing, please contact David McClure, Director of Licensing at Texas Tech University at david.mcclure@ttu.edu.
Acknowledgment for Software
This material is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced Manufacturing Office Award Number DE-EE0007888.
Mixed Gas Adsorption Equilibria Model- IAST with aNRTL
About
The RAPID Center for Process Modeling team at Texas Tech University has developed a model illustrating their Mixed Gas Adsorption Equilibria using Ideal Adsorbed Solution Theory (IAST) with aNRTL work. This package can be used to estimate binary mixed-gas adsorption equilibria from its pure component thermodynamic Langmuir (tL) isotherm parameters using aNRTL based adsorbed solution theory. Prior to binary mixed-gas adsorption equilibria calculations, users need to make a spreading pressure database by using tL isotherm parameters . When binary experimental data are not available then one can select predictive model.
RAPID Content File Info
Model files include the initial implementation in MATLAB and illustrative examples.
Content File
Licensing Info
The aNRTL model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University, patent international application PCT/US20 19/057,165 filed on Oct 21, 2019. RAPID members are free to use the model for internal research purposes, but any commercial applications will require the member to negotiate a non-exclusive license from the Texas Tech Office of Research Commercialization. For information on licensing, please contact David McClure, Director of Licensing at Texas Tech University at david.mcclure@ttu.edu.
Acknowledgment for Software
This material is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced Manufacturing Office Award Number DE-EE0007888.
Generalized Langmuir Isotherm Model for Pure and Mixed-Gas Adsorption Equilibria
About
The RAPID Center for Process Modeling team at Texas Tech University has developed a model illustrating their Generalized Langmuir Isotherm for Pure and Mixed-Gas Adsorption Equilibria work. This package is divided into two parts. The first part provides a MATLAB file to regress gL pure component adsorption isotherm parameters from pure component adsorption data. The second part gives MATLAB file to estimate the binary mixed-gas adsorption equilibria from the pure component gL isotherm parameters with one adjustable parameter.
RAPID Content File Info
Model files include the initial implementation in MATLAB and illustrative case studies.
Licensing Info
The aNRTL model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University, patent international application PCT/US2019/057165 filed on Oct 21,2019. The thermodynamic Langmuir isotherm model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University, patent international application PCT/US2020/45586, filed on August 10, 2020. The generalized Langmuir isotherm model was developed by Chau-Chyun Chen with RAPID funding and is owned by Texas Tech University. Patent application is in preparation. RAPID members are free to use the model for internal research purposes, but any commercial applications will require the member to negotiate a non-exclusive license from the Texas Tech Office of Research Commercialization. For information on licensing, please contact David McClure, Director of Licensing at Texas Tech University at david.mcclure@ttu.edu.
Acknowledgment for Software
This material is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced Manufacturing Office Award Number DE-EE0007888.
Keywords
Corresponding Author(s)
Chau-Chyun Chen, Texas Tech University, ChauChyun.Chen@ttu.edu
Licensing
All models and software tools are subject to licensing terms agreed by the developers in accordance to the RAPID Members Agreement. The referenced published material is subject to the appropriate copyright and publisher restrictions.
Acknowledgment
This material is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced Manufacturing Office Award Number DE-EE0007888.