Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures

KR Baca, K Al-Barghouti, N Wang, MG Bennett… - Chemical …, 2024 - ACS Publications
This review discusses the research being performed on ionic liquids for the separation of
fluorocarbon refrigerant mixtures. Fluorocarbon refrigerants, invented in 1928 by Thomas …

Embedded metal inducing electron accumulation of multi-mesoporous pyridinic-N doped carbon for enhancing* COOH adsorption in electrochemical CO2 reduction

H Chen, Z Chen, S Cao, Z Wang, X Chen, X Lin, Q Hou… - Nano Energy, 2024 - Elsevier
Nitrogen-doped carbon (NC) for carbon dioxide reduction reaction (CO 2 RR) are promising
candidates. However, its selectivity and activity are limited by the undeveloped pore and …

Assessment and Ranking of Difluoromethane (R32) and Pentafluoroethane (R125) Interatomic Potentials Using Several Thermophysical and Transport Properties …

B Agbodekhe, E Marin-Rimoldi, Y Zhang… - Journal of Chemical & …, 2023 - ACS Publications
Difluoromethane (R32) and pentafluoroethane (R125) are two common hydrofluorocarbon
refrigerants, often used in a mixture termed R410A. Many refrigerants, including R32 and …

Accelerated Bayesian Inference for Molecular Simulations using Local Gaussian Process Surrogate Models

BL Shanks, HW Sullivan, AR Shazed… - Journal of Chemical …, 2024 - ACS Publications
While Bayesian inference is the gold standard for uncertainty quantification and
propagation, its use within physical chemistry encounters formidable computational barriers …

relentless: Transparent, reproducible molecular dynamics simulations for optimization

AN Sreenivasan, CL Petix, ZM Sherman… - The Journal of …, 2024 - pubs.aip.org
relentless is an open-source Python package that enables the optimization of objective
functions computed using molecular dynamics simulations. It has a high-level, extensible …

[PDF][PDF] Artificial Intelligence and Machine Learning for Sustainable Molecular-to-Systems Engineering

AW Dowling - Syst. Control Trans, 2024 - psecommunity.org
Sustainability encompasses many wicked problems involving complex interdependencies
across social, natural, and engineered systems. We argue holistic multiscale modeling and …

[图书][B] Development of Advanced Computational Methods for Accurate Property Prediction of Fluids: Application to Hydrofluorocarbon/Ionic Liquid Mixtures

N Wang - 2024 - search.proquest.com
Hydrofluorocarbon (HFC) refrigerants with zero ozone-depleting potential have replaced
chlorofluorocarbons and are widely used in the heating, ventilation, airconditioning, and …

Molecular Dynamics Simulation of Zn Aqueous Electrolyte Solutions: Structure and Dynamics

Y Jiang - 2024 - curate.nd.edu
Electrolytes play an important role in the performance of zinc-ion batteries. The addition of
additives to the common zinc aqueous electrolyte can change its proper-ties, which may …

[PDF][PDF] Development and Implementation of an Enhanced Free Energy Perturbation Approach to Rapidly Assess Gas Solubility in Charge Liquids

RW Smith - 2024 - curate.nd.edu
To design many different chemical processes involving gases, chemical engineers need
accurate data on the solubility of gases in materials such as liquids and porous solids so …