Results 181 to 190 of about 26,718 (332)

Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N‐Dimethylformamide‐Water Solvents: A Molecular Dynamics Approach

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
wiley   +1 more source

Investigation of laser stripping process parameters for insulation layers of large diameter aviation cables based on thermodynamic coupling. [PDF]

Sci Rep
Li P, Wang S, Gao P, Tang E, Tian C.
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 and Validation of Standard Enthalpies of Formation and Sublimation of Potassium Salts Using Solution Calorimetry and Quantum-Chemical Calculations. [PDF]

ChemistryOpen
Amanollahi Z, Zaitsau DH, Müller K, Bokareva OS, Siewert R.   +4 more
europepmc   +1 more source

Flame‐Retardant Bio‐Based Thermo‐Flexible Phase‐Change Composites with Antivibration and Low‐Contact Resistance for Advanced Battery Thermal Management

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Flame‐retardant bio‐based thermo‐flexible phase‐change composites for advanced battery thermal management. Batteries face critical challenges in thermal management, including overheating risks, poor interfacial contact, and mechanical vibration–induced performance attenuation.
Shichao Feng, Shuofan Yue, Jiapeng Wei, Dong Zhang, Yajie Gui, Ruijuan Wang, Dongying Hu, Fangchao Cheng   +7 more
wiley   +1 more source

Thermodynamically Consistent Enthalpies of Adsorption of Mixtures from Classical Density Functional Theory. [PDF]

J Phys Chem B
Rehner P.
europepmc   +1 more source

Highly Efficient and Salt‐Tolerant Broom‐like Bamboo Solar Evaporator: Constructing Multiscale Open Gaps to Enhance Water Transportation and Vapor Diffusion

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A bamboo fiber aggregation‐based broom‐like evaporator with open interstitial spaces for water transport and vapor diffusion was designed that provided extensive air–liquid interfaces for facilitating fast vapor diffusion and avoiding the formation of high‐humidity zones.
Rilong Yang, Yuying Yang, Qianwen Liu, Qiuhua Feng, Jianyu Wu, Yan Yu   +5 more
wiley   +1 more source

Quantitative structure-property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices. [PDF]

Front Chem
Joy Prisca A, Jaganathan B.
europepmc   +1 more source

Toward Safer and Sustainable Lithium Metal Batteries: Fluorine‐Free Solid Polymer Electrolytes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
An analysis to assess the impact of fluorine in polymer electrolyte‐based lithium metal batteries has been conducted. It has been demonstrated that fluorine‐free LiTIM salt delivers a electrochemical performance similar to that of its fluorinated analogue salts, given the complete lithium dissociation in coordination with PEO and the restricted anion ...
David Fraile‐Insagurbe, Leire Meabe, Brigette Althea Fortuin, Itsaso Segura‐Laparra, Elene Sasieta‐Barrutia, Rosalía Cid, Javier Carrasco, Władysław Wieczorek, Maria Forsyth, Michel Armand, María Martínez‐Ibañez   +10 more
wiley   +1 more source

Computational analysis of metal organic framework and covalent organic framework using degree based topological indices with QSPR validation. [PDF]

Sci Rep
Tu Y, Yousaf S, Tariq S, Tawfiq FM, Aslam A, Tola KA.   +5 more
europepmc   +1 more source