R package for processing isotherm experiment data & predicting sorption processes using empirical models.
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Updated
Dec 29, 2021 - R
R package for processing isotherm experiment data & predicting sorption processes using empirical models.
The folder contains implemented approaches of curves fitting of Non-Specific binding of Blood Plasma proteins to the sensor surface
Streamline the process of adsorption modeling for researchers, by automating the fitting of theoretical adsorption models to empirical isotherm data
Software to plot a graphic the profile of dimensionless bulk concentration within time. The application compares the accuracy and deviation between QPVSD and PVSD models.
HTA磁吸多窗口模板
TPD and prefactor BE functions and library
Tools for generating parameters for helium on uniaxially strained graphene simulations using quantum Monte Carlo software hosted at https://code.delmaestro.org and plots of the helium graphene interaction.
Sequential design of adsorption simulation for small molecule adsorption in a MOF
The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).
for adsorption related research
A collection of Python code used for carbon dioxide adsorption analysis
Model hydrogen adsorption on the surface of nanostructures based on the “Random rain” algorithm
Repository containing data extracted from AJ Brown's seminal thesis on adsorption-desorption hysteresis, with particular emphasis on scanning isotherms inside the boundary isotherm curves for Xenon adsorption in Vycor Glass.
An Active learning algorithm for multi-component adsorption prediction in MOF
Fit temperature-dependent isotherms to equilibrium data.
Series of simulations analyzing common chemical engineering, thermodynamic, and kinetic phenomena
Use machine learning to harness prediction of chemicals adsorption on adsorbent materials, using data from the NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials
Automatically applies betsi criteria to a group of isotherms, and doesn't give up!
Collect adsorption isotherm data from the NIST/ARPA-E Database
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