Welcome

Welcome to moltsa.com. The graphic displays the pseudo-binary systems included in version 4.1 of the Molten Salt Database – Thermochemical (MSD–TC). The MSD–TC itself is developed by the General Atomics Center at the University of South Carolina and is accessible at msd.ornl.gov.

Our purpose
MOLTSA (a portmanteau of molten salt) is designed to make it easier to explore and compare experimental thermochemical data and models relevant to molten salt reactor applications. Users can visually compare experimental data with pre-calculated MSD–TC model predictions, making it a practical tool for quality checks and model validation without using specialised tools such as FactSage.

Additional research tools are designed to expedite the generation of quality thermochemical models in the CALPHAD spirit. These include access to FactSage optimiser files, plotting 3D phase equilibria, parameter computations, predicting enthalpy of mixing, parameterising heat capacity data, and processing raw differential scanning calorimetry data.

MSD–TC data tabs

  • Phase equilibria: Assessed pseudo-binary phase diagrams from MSD–TC with phase equilibria data from literature.
  • Enthalpy of mixing: Enthalpy of mixing for pseudo-binary systems with values from literature.
  • Contribute data: Contribute your own phase equilibria or enthalpy of mixing data to the project.
Research tools tabs
  • Ternary phase equilibria: View your own liquidus project .fig files in 3D.
  • Optimiser files: .exp files used to optimise chemical systems in CALPHAD optimisation software.
  • Calculate salt descriptors: Correlational and parametric calculations for salts.
  • Estimate ΔmixH: Predict enthalpy of mixing in molten salts.
  • Fit heat capacity data: Fit Maier-Kelley coefficients to heat capacity data.
  • Calibrate DSC data: Employ DSC temperature corrections and perform error analysis.
  • Compare .dat files: Compare thermochemical databases (.dat) for quality control and assurance purposes.
  • Netzsch ngb to csv: Convert Netzsch .ngb files to csv format.
Miscellaneous tabs
  • Contributors
  • Citing MOLTSA


If you found any of these tools useful, please consider citing:
J. A. Wilson et al., 'MOLTSA: An R Shiny Platform for Molten-Salt Thermochemical Data Management, Analysis, and Assessment', Journal of Open Research Software, vol. 14, no. 1, Apr. 2026, doi: 10.5334/jors.685'

Disclaimer

This web application was developed independently, in part to support the use and visualisation of MSD–TC data, and is not an officially sponsored product.

Select species

Phase diagram plot

Phase equilibria data

MSD-TC data

Phase equilibria explorer

Compare assessed pseudo-binary phase diagram models with phase equilibria measurements from the literature. Select a pair of species, choose the model version, and plot the system in Kelvin or Celsius.

Phase diagram plot

Zoom, inspect, and export

References

Filtered source list

Phase equilibria data

Filtered measurements

Molten salt thermochemistry

Explore molten salt thermochemical data.

MOLTSA provides assessed MSD-TC model predictions, underlying experimental measurement data, and CALPHAD-oriented research tools into one workspace for model checking, data comparison, and practical analysis.

Pseudo-binary molten salt systems included in MSD-TC version 4.1
Pseudo-binary systems included in MSD-TC v4.1.

Start With The Data

Phase diagrams

Review assessed pseudo-binary phase diagrams alongside phase equilibria data from the literature.

Enthalpy of mixing

Inspect enthalpy of mixing measurements and model predictions for pseudo-binary systems.

Contribute data

Submit phase equilibria or enthalpy of mixing data so new measurements can be considered in future updates.

Project contributors

See the people who have made contributions to MOLTSA.

Build And Validate Models

Ternary phase equilibria

View ternary .fig files in 3D for faster inspection of ternary phase behavior.

Optimiser files

Access CALPHAD optimisation files used to fit and assess chemical systems.

Calculate salt descriptors

Compute correlational and parametric descriptors for salts used in model development.

Estimate ΔmixH

Predict molten-salt enthalpy of mixing when measurements are sparse or unavailable.

Fit heat capacity data

Fit Maier-Kelley coefficients from heat capacity data.

Compare .dat files

Compare thermochemical databases for quality control, change tracking, and assessment review.

Purpose

MOLTSA is designed to make molten-salt thermochemical data easier to inspect, compare, and reuse. It supports practical quality checks and model validation for molten salt reactor research without requiring specialised thermodynamic software for every exploratory task.

The application was developed independently, in part to support use and visualisation of MSD-TC data, and is not an officially sponsored product.

Select species

Enthalpy of mixing plot

Enthalpy of mixing data

MSD-TC data

Enthalpy of mixing explorer

Compare assessed enthalpy of mixing model predictions with literature measurements for pseudo-binary molten salt systems. Select a pair of species, choose the temperature units, and plot the data.

Enthalpy of mixing plot

Zoom, inspect, and export

References

Filtered source list

Enthalpy of mixing data

Filtered measurements

Data contribution

Contribute molten salt data

Use the templates and upload validator to submit phase equilibria or enthalpy of mixing measurements for inclusion. Submitted datasets are checked before they are added to the MOLTSA data collection.

Download template

Template workflow

Download, fill, validate
  • Choose the matching template for phase equilibria or enthalpy of mixing data.
  • Keep the column headers unchanged and save the completed file as CSV.
  • Upload the CSV, validate it, then confirm submission with your email address.

Curation

What happens next

Submitted data are reviewed for formatting, duplicates, attribution, and source traceability before inclusion in MOLTSA.

Contributor metadata are stored only as needed for attribution and platform operation under the MOLTSA Privacy Policy.

Column requirements

Accepted CSV headers
  • Species 1: Chemical formula of species 1, for example NaCl, KCl, or UCl3.
  • Species 2: Chemical formula of species 2.
  • Mole frac species 1 and Mole frac species 2: Mole fractions for each species.
  • Temp (K): Temperature in Kelvin.
  • deltaH: Enthalpy of mixing in J mol-1; required for enthalpy of mixing submissions.
  • Author: Dataset attribution, for example Smith et al. (2017).
  • Type: Optional data descriptor such as liquidus or solidus.
  • Link: DOI or other source URL used to verify the dataset.

Upload ternary phase equilibria

Instructions

Use this page to visualise ternary .fig files in 3D.


Guidelines:


Data File (.fig):
  • Ensure the species order matches that of the literature data file. To maintain consistency, ordering species alphabetically is recommended.
Literature Data File (.csv):
  • The .csv file must include the following headers: A, B, C, X, Y, Z, temp_k, and Author.
  • A, B, C: Species names (e.g., LiF, NaF, KF).
  • X, Y, Z: Mole fractions of A, B, and C, respectively.
  • temp_k: Temperature in Kelvin.
  • Author: Dataset author.

If no .fig or literature data file is uploaded, the plot will use a default dataset for FLiNaK.

plot

Research tools

Ternary phase equilibria viewer

Visualise ternary FactSage figure files in 3D and compare them with literature measurements. Upload your own files or plot the default FLiNaK example.

3D ternary plot

Rotate, zoom, and export

File requirements

Input schema
  • .fig file: FactSage figure file with species ordered consistently with the literature data.
  • .csv file: Must include A, B, C, X, Y, Z, temp_k, and Author.
  • X, Y, Z: Mole fractions of species A, B, and C.
  • temp_k: Temperature in Kelvin.
  • If no files are uploaded, the default FLiNaK dataset is used.

Download templates

Download

Upload dataset

Instructions

If you want your data to appear on moltsa.com or moltensalts.net, use this page to upload it. Templates are provided on the left, and the column headers are explained below:

  • Species 1: Provide the chemical formula of species 1 (e.g., NaCl, KCl, UCl3).
  • Species 2: Provide the chemical formula of species 2 (e.g., NaCl, KCl, UCl3).
  • Mole frac species 1: Enter the mole fraction of species 1 (e.g., 0.00–1.00). The total of all species must sum to 1.00.
  • Mole frac species 2: Enter the mole fraction of species 2.
  • Temp (K): Enter the temperature in Kelvin.
  • deltaH: Enter the enthalpy of mixing in Jmol–1.
  • Author: Provide the author(s) of the dataset, ensuring correct spelling and the format Last Name (year). For two authors, use both names separated by “and,” for three or more, use “et al.” (e.g., Smith et al. (2017)).
  • Type: Provide additional detail about the data (e.g., “liquidus” or “solidus”), or leave it blank.
  • Link: Provide a DOI link if possible so the data can be verified. Otherwise, include a link to where the dataset is hosted (e.g., ResearchGate).


The templates are designed to accommodate multiple datasets from different authors and chemical systems, allowing you to upload them all at once. Files must be in .csv format with unaltered column headers. After filling in your data, use the file upload system on the left to submit your dataset.

What happens next?

Your data will be verified, including checks for duplicates and correct formatting, and we will reference the original papers where possible. Once verified, your dataset will be added to the moltsa.com/moltensalts.net database.

Download templates

Download template

Upload dataset

Measured transitions plot

Calibration plot

Instructions

Process DSC Data Using the IUPAC Zero-Rate Method with Error Analysis


This page processes raw differential scanning calorimetry (DSC) data. It extracts peak temperatures measured at multiple heating and cooling rates, applies a calibration based on known melting point standards, and computes an error bar for each measured transition.

Templates
Download templates for the data and calibration files using the panel on the left.

Input File Schema

Data file:
  • mol_frac_X: Mole fraction of interest. This field is flexible and depends on how you wish to visualise the data. It is recommended to use the species that comes later alphabetically, in line with typical phase diagram conventions.
  • rate: Ramping rate for each set of measurements. Typical values include 16, 8, 4, and 1.6, or 20, 10, 5, and 2 (default units: °C min–1).
  • P1, P2, P3...: Peak temperatures (in °C). Add or remove peak columns as needed. If the same peak is detected at multiple rates, list all values in the same column.
  • ramp_direction: Temperature ramp direction. Accepts heating or cooling.
  • keep: Optional logical column (TRUE/FALSE). Measurements with keep = FALSE are excluded. Useful for omitting data requiring separate calibrations (e.g. measurements from a different instrument).

Calibration file:
  • species: Chemical formula of the calibrant (e.g. NaCl, KCl).
  • R16, R8, R4, R1.6...: Measured transition temperatures for each ramp rate (°C min–1).
  • temp_c_temperature: Literature melting point (in °C).
  • error_in_literature: Reported uncertainty in the melting point.
  • literature_reference: Citation or source of the literature value.


Testing with Default Datasets
  • If no data file is uploaded, a default dataset will be loaded for demonstration. If no calibration file is uploaded, the latest calibration file for the Netzsch Pegasus instrument will be applied.


Plots Explained
  • Measured transitions plot: Shows corrected transition temperatures with error bars representing the total standard error.
  • Calibration plot: Shows the calibration model used to correct the raw data.
  • Temperature calibration & error analysis: A downloadable table of all processed data.


Temperature Calibration Explained
  • For each calibrant i, the deviation is defined as: \( \Delta T_i = T_i^{measured} - T_i^{literature} \), where \( T_i^{measured} \) is the extrapolated zero-rate onset temperature, and \( T_i^{literature} \) is the known melting point.
  • These values \( \Delta T_i \) are linearly interpolated to define the calibration function, which estimates the temperature correction \( T_{correction} \) as a function of \( T_{measured} \).


Error Analysis Explained
Error sources include:
  • Linear extrapolation to zero rate for sample transitions (standard error of the Y-intercept).
  • Linear extrapolation to zero rate for calibrant transitions (standard error of the Y-intercept).
  • Uncertainty in calibrants’ literature melting points (reported standard error).

    • These standard errors are combined as orthogonal vectors to compute the total standard error.


The CALPHAD_weighting variable is proportional to the inverse of the total standard error and can be used to apply selective weighting in CALPHAD optimisations.

Temperature calibration & error analysis

Research tools

Calibrate DSC data

Process differential scanning calorimetry transition data with zero-rate extrapolation, temperature calibration, and propagated error estimates for CALPHAD weightings.

Upload dataset

Templates and CSV files
Download template

If no files are uploaded, default example data and the default heating calibration file are used.

Measured transitions plot

Corrected temperature with propagated error

Calibration plot

Temperature correction model

Instructions

Original DSC guidance

Process DSC Data Using the IUPAC Zero-Rate Method with Error Analysis


This page processes raw differential scanning calorimetry (DSC) data. It extracts peak temperatures measured at multiple heating and cooling rates, applies a calibration based on known melting point standards, and computes an error bar for each measured transition.

Templates
Download templates for the data and calibration files using the panel on the left.

Input File Schema

Data file:
  • mol_frac_X: Mole fraction of interest. This field is flexible and depends on how you wish to visualise the data. It is recommended to use the species that comes later alphabetically, in line with typical phase diagram conventions.
  • rate: Ramping rate for each set of measurements. Typical values include 16, 8, 4, and 1.6, or 20, 10, 5, and 2 (default units: °C min–1).
  • P1, P2, P3...: Peak temperatures (in °C). Add or remove peak columns as needed. If the same peak is detected at multiple rates, list all values in the same column.
  • ramp_direction: Temperature ramp direction. Accepts heating or cooling.
  • keep: Optional logical column (TRUE/FALSE). Measurements with keep = FALSE are excluded. Useful for omitting data requiring separate calibrations (e.g. measurements from a different instrument).

Calibration file:
  • species: Chemical formula of the calibrant (e.g. NaCl, KCl).
  • R16, R8, R4, R1.6...: Measured transition temperatures for each ramp rate (°C min–1).
  • temp_c_temperature: Literature melting point (in °C).
  • error_in_literature: Reported uncertainty in the melting point.
  • literature_reference: Citation or source of the literature value.


Testing with Default Datasets
  • If no data file is uploaded, a default dataset will be loaded for demonstration. If no calibration file is uploaded, the latest calibration file for the Netzsch Pegasus instrument will be applied.


Plots Explained
  • Measured transitions plot: Shows corrected transition temperatures with error bars representing the total standard error.
  • Calibration plot: Shows the calibration model used to correct the raw data.
  • Temperature calibration & error analysis: A downloadable table of all processed data.


Temperature Calibration Explained
  • For each calibrant i, the deviation is defined as: \( \Delta T_i = T_i^{measured} - T_i^{literature} \), where \( T_i^{measured} \) is the extrapolated zero-rate onset temperature, and \( T_i^{literature} \) is the known melting point.
  • These values \( \Delta T_i \) are linearly interpolated to define the calibration function, which estimates the temperature correction \( T_{correction} \) as a function of \( T_{measured} \).


Error Analysis Explained
Error sources include:
  • Linear extrapolation to zero rate for sample transitions (standard error of the Y-intercept).
  • Linear extrapolation to zero rate for calibrant transitions (standard error of the Y-intercept).
  • Uncertainty in calibrants’ literature melting points (reported standard error).

    • These standard errors are combined as orthogonal vectors to compute the total standard error.


The CALPHAD_weighting variable is proportional to the inverse of the total standard error and can be used to apply selective weighting in CALPHAD optimisations.

Temperature calibration and error analysis

Processed output table

Search

Download selected files

Output

Welcome to the Molten-salt Open Unified Set of Experiments

Download .exp files for the FactSage CALPHAD optimiser



Use the search bar on the left to filter by specific elements.
Enable Strict search to exclude files containing elements that are not selected.

Disclaimer: This module is provided for demonstration purposes only. The data in the .exp files have not been independently verified, and the outputs should not be relied upon for research, design, regulatory, or decision-making purposes without manual review and validation.
MOLTSA mouse logo

Selected experiment preview

Research tools

Optimiser file browser

Search and download experiment files for the FactSage CALPHAD optimiser. Filter by elements, preview selected files, and export matching experiment files as a zip archive.

Use strict search to exclude files containing elements that are not selected. Without strict search, results include files containing all selected elements.

Disclaimer: This module is provided for demonstration purposes only. The data in the .exp files have not been independently verified, and outputs should not be relied upon for research, design, regulatory, or decision-making purposes without manual review and validation.

Download selected files

Search results

Select rows to preview and download

Selected experiment preview

Plottable measured variables

Notes

Manual review required

Disclaimer: This module is provided for demonstration purposes only. The data in the .exp files have not been independently verified, and outputs should not be relied upon for research, design, regulatory, or decision-making purposes without manual review and validation.

Parametric approach for molten salts

Instructions

Use this page to calculate parametric quantities for salts.


Guidelines:


\( \delta_{12} \)
  • \( \delta_{12} \), which is readily calculable based on Shannon radii differences, provides an empirical method to predict \( \Delta_{mix}H \) in pseudo-binary salt systems.
  • The theory was first used by H. T. Davis, “Theory of Heats of Mixing of Certain Charge‐Unsymmetrical Fused Salts”, The Journal of Chemical Physics, vol. 41, no. 9, pp. 2761–2766, Nov. 1964, doi: 10.1063/1.1726349.
  • It is defined as \( \delta_{12}= \frac{\left( r_1^++r_1^- \right) - \left( r_2^++r_2^- \right)}{\left( r_1^++r_1^- \right) \times \left( r_2^++r_2^- \right)} \) and has units of \( Å^{-1} \).
  • Shannon radii utilised here originate from R. D. Shannon, “Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides,” Acta Cryst A, vol. 32, no. 5, pp. 751–767, Sep. 1976, doi: 10.1107/S0567739476001551, and were retrieved from the Database of Ionic Radii maintained by the Atomistic Simulation Group, Materials Department, Imperial College (http://abulafia.mt.ic.ac.uk/shannon/ (accessed 2025-02-15).
Additional calculated descriptors
  • Valence columns report the charge-balanced cation and anion valences inferred from each binary salt formula. The cation difference is calculated as species 2 minus species 1.
  • Shannon radius columns report the VI-coordinated Shannon ionic radius used for each inferred ion and valence state.
  • Ionic potential columns are calculated as ionic valence divided by Shannon ionic radius for each ion.
  • IP ratio species 1 and IP ratio species 2 are calculated as cation ionic potential divided by anion ionic potential for each salt.
  • Delta IP is calculated as IP ratio species 2 minus IP ratio species 1.

Research tools

Calculate salt descriptors

Enter binary salt pairs and calculate descriptor values used in molten-salt correlations, including delta-12, inferred valences, Shannon radii, ionic potentials, and ionic-potential ratios.

Update the Species 1 and Species 2 columns in the table, then calculate descriptors for each row. Invalid binary formulas are highlighted.

Salt descriptor table

Edit salt pairs, then calculate

Descriptor notes

Definitions and sources

\( \delta_{12} \)
  • \( \delta_{12} \), which is readily calculable based on Shannon radii differences, provides an empirical method to predict \( \Delta_{mix}H \) in pseudo-binary salt systems.
  • The theory was first used by H. T. Davis, “Theory of Heats of Mixing of Certain Charge‐Unsymmetrical Fused Salts”, The Journal of Chemical Physics, vol. 41, no. 9, pp. 2761–2766, Nov. 1964, doi: 10.1063/1.1726349.
  • It is defined as \( \delta_{12}= \frac{\left( r_1^++r_1^- \right) - \left( r_2^++r_2^- \right)}{\left( r_1^++r_1^- \right) \times \left( r_2^++r_2^- \right)} \) and has units of \( Å^{-1} \).
  • Shannon radii utilised here originate from R. D. Shannon, “Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides,” Acta Cryst A, vol. 32, no. 5, pp. 751–767, Sep. 1976, doi: 10.1107/S0567739476001551, and were retrieved from the Database of Ionic Radii maintained by the Atomistic Simulation Group, Materials Department, Imperial College (http://abulafia.mt.ic.ac.uk/shannon/ (accessed 2025-02-15).
Additional calculated descriptors
  • Valence columns report the charge-balanced cation and anion valences inferred from each binary salt formula. The cation difference is calculated as species 2 minus species 1.
  • Shannon radius columns report the VI-coordinated Shannon ionic radius used for each inferred ion and valence state.
  • Ionic potential columns are calculated as ionic valence divided by Shannon ionic radius for each ion.
  • IP ratio species 1 and IP ratio species 2 are calculated as cation ionic potential divided by anion ionic potential for each salt.
  • Delta IP is calculated as IP ratio species 2 minus IP ratio species 1.

System input


L0 group data

L1 natural spline

Predicted enthalpy of mixing

Predicted enthalpy of mixing data

Download table

Research tools

Estimate ΔmixH

Predict enthalpy of mixing for a binary molten salt system using Redlich-Kister parameter models. Enter a salt pair, run the prediction, inspect the model context, and download the predicted curve.


Predicted enthalpy of mixing

Predicted ΔmixH with literature data where available

L0 group data

Classified linear regression used for the L0 parameter

Prediction summary

Model inputs and uncertainty

L1 natural spline

delta_IP context

Predicted enthalpy of mixing data

Downloadable table
Download table

User Avatar

Jack Anthony Wilson, PhD

MOLTSA Lead Developer
University of South Carolina

User Avatar

Roy Edward Wilson, CGMA Adv Dip MA, MSc

Data Solutions Architect & Consultant

User Avatar

Emma L. Baker

Contributor to MOLTSA
University of South Carolina

User Avatar

Jorge Paz Soldan Palma, PhD

Contributor to MOLTSA
University of South Carolina

User Avatar

Lianna M. Eaton

Contributor to MOLTSA
University of South Carolina

User Avatar

Zachary K. Gardiner

Contributor to MOLTSA
University of South Carolina

Publications

Citing MOLTSA

Use these references when citing the MOLTSA application, datasets, or methods used by the thermochemical analysis tools.

The articles below describe the platform and selected methods implemented in the application.

Creation of MOLTSA

Platform reference
J. A. Wilson et al., MOLTSA: An R Shiny Platform for Molten-Salt Thermochemical Data Management, Analysis, and Assessment, Journal of Open Research Software, vol. 14, no. 1, Apr. 2026, doi: 10.5334/jors.685

The DSC calibration method

Method reference
J. A. Wilson et al., Thermodynamic properties of ZrCl4 with LiCl, NaCl, KCl, CsCl, MgCl2, and UCl3 for molten salt reactor applications, Journal of Molecular Liquids, vol. 437, p. 128578, Nov. 2025, doi: 10.1016/j.molliq.2025.128578.

Welcome

Welcome to moltsa.com. The graphic displays the pseudo-binary systems included in version 4.1 of the Molten Salt Database – Thermochemical (MSD–TC). The MSD–TC itself is developed by the General Atomics Center at the University of South Carolina and is accessible at msd.ornl.gov.

Our purpose
MOLTSA (a portmanteau of molten salt) is designed to make it easier to explore and compare experimental thermochemical data and models relevant to molten salt reactor applications. Users can visually compare experimental data with pre-calculated MSD–TC model predictions, making it a practical tool for quality checks and model validation without using specialised tools such as FactSage.

Additional research tools are designed to expedite the generation of quality thermochemical models in the CALPHAD spirit. These include access to FactSage optimiser files, plotting 3D phase equilibria, parameter computations, predicting enthalpy of mixing, parameterising heat capacity data, and processing raw differential scanning calorimetry data.

MSD–TC data tabs

  • Phase equilibria: Assessed pseudo-binary phase diagrams from MSD–TC with phase equilibria data from literature.
  • Enthalpy of mixing: Enthalpy of mixing for pseudo-binary systems with values from literature.
  • Contribute data: Contribute your own phase equilibria or enthalpy of mixing data to the project.
Research tools tabs
  • Ternary phase equilibria: View your own liquidus project .fig files in 3D.
  • Optimiser files: .exp files used to optimise chemical systems in CALPHAD optimisation software.
  • Calculate salt descriptors: Correlational and parametric calculations for salts.
  • Estimate ΔmixH: Predict enthalpy of mixing in molten salts.
  • Fit heat capacity data: Fit Maier-Kelley coefficients to heat capacity data.
  • Calibrate DSC data: Employ DSC temperature corrections and perform error analysis.
  • Compare .dat files: Compare thermochemical databases (.dat) for quality control and assurance purposes.
  • Netzsch ngb to csv: Convert Netzsch .ngb files to csv format.
Miscellaneous tabs
  • Contributors
  • Citing MOLTSA


If you found any of these tools useful, please consider citing:
J. A. Wilson et al., 'MOLTSA: An R Shiny Platform for Molten-Salt Thermochemical Data Management, Analysis, and Assessment', Journal of Open Research Software, vol. 14, no. 1, Apr. 2026, doi: 10.5334/jors.685'

Disclaimer

This web application was developed independently, in part to support the use and visualisation of MSD–TC data, and is not an officially sponsored product.

Heat capacity solver

Instructions

Use this page to determine Maier-Kelley polynomial coefficients for heat capacity data.


Guidelines:

  • Paste your heat capacity data into the table (units are Kelvin and \( JK^{-1}mol^{-1}\))
  • Choose up to 2 breaks in the data — the algorithm will fit a stepwise function, using the breaks to define the steps.
  • Click the button to update the plot and generate the parameter table.
  • Vary the breaks using the slider inputs to obtain a good fit. As an example, using the default dataset, see that break 1 = 350, and break 2 = 1000 produce a great fit of the data.

Cp plot

Parameter table. Cp is given in the form \( a + b \times T + c \times T^{-2} + d \times T^{2} \)

Research tools

Fit heat capacity data

Fit stepwise Maier-Kelley heat capacity coefficients from temperature and Cp data. Choose two breakpoints, calculate the piecewise fit, inspect the plot, and copy the fitted coefficients.

Guidelines

How to use the heat capacity data fitter
  • Paste heat capacity data into the table using Temperature (K) and Cp columns.
  • Cp units are \( J K^{-1} mol^{-1} \); temperature is Kelvin.
  • Choose up to two breakpoints to define the three fitted regions.
  • For the default dataset, break 1 = 350 and break 2 = 1000 provide a good example fit.

Input data

Input data and define the breaks

Cp fit plot

Measured data and fitted Maier-Kelley regions

Parameter table

Cp is given in the form \( a + b \times T + c \times T^{-2} + d \times T^{2} \)


Upload database files


Download report

Summary


                      

                    

                    
                  

                

                

                  

                    

                      

                        
Database comparison

                        

                          
                        

                      

                      

                        

                      

                    

                    
                  

                  

                    

                      

                        
                      

                      

                        

                          

                            

                          

                          

                            

                          

                          

                            

                          

                          

                            

                          

                          

                            

                          

                        

                      

                    

                    
                  

                

              

            

            

              
              
              

                

                  

                    
Research tools

                    
Compare database .dat files

                    

                      Upload two thermodynamic database files, parse compound records, 
                      identify entries unique to each file, and inspect changed enthalpy 
                      or entropy values.
                    

                  

                  

                    

                      

                        

                          
                          

                            
                            
                          

                          

                            

                          

                        

                      

                      

                        

                          
                          

                            
                            
                          

                          

                            

                          

                        

                      

                    

                    

                      
                      
                        
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                    Reference only
                    
                      
                       unmatched parsed entries
                    
                  

                  

                    Comparison only
                    
                      
                       unmatched parsed entries
                    
                  

                  

                    Changed values
                    
                      
                       shared entries with changed Hf/S
                    
                  

                

                

                  

                    

                      
Parsed differences

                      Copy or export any table
                    

                    

                      

                        

                          
                          

                            

                              
                            

                            

                              
                            

                            

                              
                            

                            

                              
                            

                            

                              
                            

                          

                        

                      

                    

                  

                  

                    

                      
Summary

                      Parser and result overview
                    

                    

                      
                        

                      

                      

                    

                  

                

              

            

            

              

                

                  

                    

                      

                        
NGB conversion

                        

                          
                        

                      

                      

                        

                        

                          
                          

                            
                            
                          

                          

                            

                          

                        

                        

                          
                          

                            
                            
                          

                        

                        
                        

                        
                          
                          Download selected CSV(s)
                        
                        
                          
                          Download all CSVs
                        
                      

                    

                    
                  

                  

                    

                      

                        
Conversion summary

                        

                          
                        

                      

                      

                        

                      

                    

                    
                  

                

                

                  

                    

                      

                        
Parsed file status

                        

                          
                        

                      

                      

                        

                      

                    

                    
                  

                  

                    

                      

                        
                      

                      

                        

                          

                            

                          

                          

                            

                          

                          

                            

                          

                          

                            

                          

                        

                      

                    

                    
                  

                

              

            

            

              
              
              

                

                  

                    
Research tools

                    
Convert NETZSCH NGB files

                    

                      Upload one or more NETZSCH binary files, convert the parsed signal 
                      streams to CSV, and review sample-temperature and DSC traces before 
                      downloading selected or complete converted outputs.
                    

                  

                  

                    

                      

                        

                          
                          

                            
                            
                          

                          

                            

                          

                        

                      

                      

                        

                          
                          

                            
                            
                          

                        

                      

                    

                    

                      
                      
                        
                        Download selected CSV(s)
                      
                      
                        
                        Download all CSVs
                      
                    

                  

                

                

                  

                    Available datasets
                    
                      
                       parsed input file(s)
                    
                  

                  

                    Ready outputs
                    
                      
                       converted CSV dataset(s)
                    
                  

                  

                    Skipped or errors
                    
                      
                       file(s) requiring attention
                    
                  

                

                

                  

                    

                      
Signal review

                      Select rows in the status table to choose traces
                    

                    

                      

                        

                          
                          

                            

                              
                            

                            

                              
                            

                            

                              
                            

                            

                              
                            

                          

                        

                      

                    

                  

                  

                    

                      
Conversion summary

                      Current conversion state
                    

                    

                      
                        

                      

                    

                  

                

                

                  

                    
Parsed file status

                    Select one or more successful rows to plot/download
                  

                  

                    
                  

                

              

            

            

              
              

                

                  

                    
Support

                    
Support MOLTSA

                    

                      MOLTSA is provided as a free scientific resource for molten-salt 
                      thermochemical data management, analysis, and assessment.
                    

                  

                  

                    Contact
                    
For queries, feature requests, or support discussions, please contact:

                    
Jack A. Wilson

                    

                      jackwilson.mchem@gmail.com
                    

                  

                

                

                  

                    
Developers:

                    The people who built MOLTSA
                  

                  

                  

                    

                      

                        

                          

                            

                              
                            

                            

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Jack Anthony Wilson, PhD

                            

                              
MOLTSA Lead Developer

                              
  

                            

                          

                          

                            

                              
         
       
       
         
       
       
         
       
       
         
       
                              
                                
                              
                            

                          

                        

                        
                      

                      

                        

                          

                            

                              
                            

                            

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Roy Edward Wilson, CGMA Adv Dip MA, MSc

                            

                              
Data Solutions Architect & Consultant

                            

                          

                          

                            

         
       
       
         
       
       
         
       

                          

                        

                        
                      

                    

                  

                

                

                

                  

                    

                      
Project maintenance

                      Infrastructure and upkeep
                    

                    

                      
Maintaining MOLTSA requires ongoing investment in development time, cloud hosting, domain registration, and software maintenance. If MOLTSA has been useful to your work, please consider supporting its continued development and operation.

                      
                        
                        Support this project
                      
                    

                  

                  

                    

                      
Other ways to help

                      Community contribution
                    

                    

                      
    
                        
  • Contribute high-quality thermochemical data.
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  • Report issues or unexpected tool behaviour.
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  • Suggest new features or workflows.
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  • Provide feedback on existing tools.
    • 
                      

                    

                  

                

                
Contributions do not provide preferential access, consulting, or influence over the scientific content of the database.