Developing machine learning models for ionic conductivity of imidazolium-based ionic liquids

P Dhakal, JK Shah - Fluid Phase Equilibria, 2021 - Elsevier
In this study, we developed two machine learning models:-support vector machine (SVM)
and artificial neural network (ANN)-to correlate ionic conductivity of pure ionic liquids based …

A generalized machine learning model for predicting ionic conductivity of ionic liquids

P Dhakal, JK Shah - Molecular Systems Design & Engineering, 2022 - pubs.rsc.org
Ionic liquids are currently being considered as potential electrolyte candidates for next-
generation batteries and energy storage devices due to their high thermal and chemical …

Expanding the solubility parameter method mosced to pyridinium-, quinolinium-, pyrrolidinium-, piperidinium-, bicyclic-, morpholinium-, ammonium-, phosphonium …

P Dhakal, AR Weise, MC Fritsch, CM O'Dell… - ACS …, 2020 - ACS Publications
MOSCED (modified separation of cohesive energy density) is a solubility parameter method
that offers an improved treatment of association interactions. Solubility parameter methods …

A simple method to predict and interpret the formation of azeotropes in binary systems using conventional solvation free energy calculations

SN Roese, GV Margulis, AJ Schmidt… - Industrial & …, 2019 - ACS Publications
Simple expressions are presented to determine if a binary system will exhibit a minimum or
maximum boiling azeotrope using conventional free energy calculations using molecular …

MOSCED parameters for 1-n-alkyl-3-methylimidazolium-based ionic liquids: Application to limiting activity coefficients and intuitive entrainer selection for extractive …

P Dhakal, JA Ouimet, SN Roese, AS Paluch - Journal of Molecular Liquids, 2019 - Elsevier
Solubility parameter based methods have long been valuable design tools due to their
ability to make both quantitative predictions and to shed insight into the underlying …

Spectroscopic Studies of a Phosphonium Ionic Liquid in Supercritical CO2

MP Heitz, ZC Putney, J Campaign - ChemEngineering, 2020 - mdpi.com
Fluorescence spectroscopy was used to study a solution comprised of coumarin 153
(C153)+ trihexyltetradecylphosphonium bis (trifluoromethylsulfonyl) imide ([P6, 6, 6 …

Leveraging Atomistic Simulations and Machine Learning for the Design of Ionic Liquids as Electrolytes for Battery Application

P Dhakal - 2022 - search.proquest.com
Ionic liquids are classes of salts that are often found in a liquid state composed entirely of
ions. They have gained widespread interest in the research community because of several …

Extractive technologies in liquid biphasic systems: extractive distillation

R Sankaran, N Fernandez, TC Ling… - Liquid Biphasic System …, 2020 - books.google.com
16.3 Column design specifications and process variables 16.3. 1 Effect of feed location and
column theoretical stages 16.3. 2 Effect of solvent feed location 16.3. 3 Effect of solvent …

Special issue “progress in thermal process engineering”

T Grützner - ChemEngineering, 2020 - mdpi.com
The Special Issue “Progress in Thermal Process Engineering” contains a total of eight
articles, seven research papers and a review article. The topics of the individual articles …