Results 161 to 170 of about 80,336 (288)

Development of United-Atom Force Fields for Monomeric and Oligomeric Ionic Liquids through Regression-Guided Optimization of Electronic Continuum Correction Parameters. [PDF]

ACS Omega
Newaz MF, Ikarashi T, Fukuma T, Sumikama T.   +3 more
europepmc   +1 more source

Clathrate hydrate crystallization

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract Clathrate hydrate crystallization has been an area of interest to chemical engineers from the point of view of crystal structure, thermophysical properties, phase equilibria, kinetics, industrial applications, and environmental (climate change) implications.
Peter Englezos
wiley   +1 more source

Predicting Properties of Key Ingredients of Battery Solvents with Density Functional Theory and Adaptive Force Matching. [PDF]

J Chem Theory Comput
Wei Y, Weldon R, Wang F.
europepmc   +1 more source

Application of dynamic modelling and model‐based predictive control to enhance a cooling tower

The Canadian Journal of Chemical Engineering, EarlyView.
Model predictive control (MPC) applied to improve the operation of cooling towers. Abstract Model predictive control (MPC) differs from traditional feedback control by making predictions within a time horizon, providing better control actions for the process.
Douglas de Almeida Giardini, Adriana Guglielmi Ranieri Miranda, Wilson Hideki Hirota, Bruno Faccini Santoro, José Ermirio Ferreira de Moraes   +4 more
wiley   +1 more source

Overcoming Raoult's Law via Ligand Field Polarization-Mediated Interfacial Water Activation for High-Performance Solar Evaporation. [PDF]

Adv Mater
Ma X, Jiao FZ, Lu XH, Su H, Fan QH, Hou SX, Qu J, Yu ZZ.   +7 more
europepmc   +1 more source

Purification of Li2CO3 Obtained through Pyrometallurgical Treatment of NMC Black Mass from Electric Vehicle Batteries

ChemSusChem, Volume 18, Issue 6, March 15, 2025.
Lithium carbonate (Li2CO3) obtained from the black mass of recycled lithium batteries is dissolved in water under controlled conditions to remove lithium fluoride (LiF), which is present at a concentration of 3.08 % by weight. The dissolution is carried out at temperatures below 10 °C, and it has been demonstrated that lower temperatures result in ...
Laura Rosso, Lorena Alcaraz, Olga Rodríguez‐Largo, Félix A. López   +3 more
wiley   +1 more source

Determination of the Florfenicol drug solubility in supercritical CO₂ and thermodynamic modeling by PR EoS/vdW and density-based correlations. [PDF]

Sci Rep
Sodeifian G, Bagheri H, Golshani S, Malekpour Afshar K, Noubigh A, Rashidi-Nooshabadi M.   +5 more
europepmc   +1 more source

Reusing depleted oil and gas wells for geothermal energy: Feasibility, challenges, and a decision‐making framework for sustainable conversion

Deep Underground Science and Engineering, EarlyView.
The graphical abstract presents a structured decision‐support framework for assessing the feasibility of converting depleted oil and gas wells into geothermal energy systems. The left panel illustrates a comprehensive, multi‐stage decision‐making framework progressing from prefeasibility screening and technical–economic analysis to policy alignment ...
Karolina Bieryt, Yu Pan, Heinz Konietzky, Fei Wang   +3 more
wiley   +1 more source

N-nitrosaccharins are not insensitive chemicals. [PDF]

Nat Commun
Muravyev NV, Dalinger IL, Vatsadze IA, Melnikov IN.   +3 more
europepmc   +1 more source

A Review of Grain Boundaries: Formation Mechanism, Synthesis Strategy, and Application in Electrocatalysis

EcoEnergy, EarlyView.
An overview of grain boundary engineering in the field of electrocatalysis. ABSTRACT Key electrocatalytic reactions such as HER, OER, ORR, CO2RR, and NRR offer promising routes for storing renewable energy as chemical fuels. However, their widespread application is constrained due to the lack of highly active and stable catalysts. Grain boundaries (GBs)
Jingyu Gao, Fengming Zhou, Xinying Li, Ying Deng, Zexing Wu, Siyuan Feng, Yujing Zhu, Dan Zhang, Zhenyu Xiao   +8 more
wiley   +1 more source