Thermodynamic Properties of cis-1,1,1,4,4,4-Hexafluorobutene [R‑1336mzz(Z)]: Vapor Pressure, (p, ρ, T) Behavior, and Speed of Sound Measurements and Equation of State [0.03%]
顺式-1,1,1,4,4,4-六氟丁烯[R-1336mzz(Z)]的热力学性质：蒸气压、(p,ρ,T)行为及声速测量和状态方程研究
Mark O McLinden,Ryo Akasaka
Mark O McLinden
We present experimental measurements of the density, speed of sound, vapor pressure, and dew-point pressure of cis-1,1,1,4,4,4-hexafluorobutene, which is also known as R-1336mzz(Z). Vapor pressures were measured at temperatures from 330 to ...
Solubilities of Ethylene and Carbon Dioxide Gases in Lithium-Ion Battery Electrolyte [0.03%]
乙烯和二氧化碳在锂离子电池电解质中的溶解度
Mel Soto,Kae Fink,Christof Zweifel et al.
Mel Soto et al.
During Li-ion battery operation, (electro)chemical side reactions occur within the cell that can promote or degrade performance. These complex reactions produce byproducts in the solid, liquid, and gas phases. Studying byproducts in these t...
Physicochemical Properties of 20 Ionic Liquids Prepared by the Carbonate-Based IL (CBILS) Process [0.03%]
基于碳酸盐的离子液体(CBILS)工艺合成的20种离子液体的理化性质研究
Lukas Pachernegg,Janine Maier,Reyhan Yagmur et al.
Lukas Pachernegg et al.
Ionic liquids (ILs) are an emerging materials' class with applications in areas such as energy storage, catalysis, and biomass dissolution and processing. Their physicochemical properties including surface tension, viscosity, density and th...
William Sean McGivern,Jeffrey A Manion
William Sean McGivern
Binary gas-phase diffusion coefficients, of interest in physical models of atmospheric and combustion chemistry, have been measured in N2 for the homologous series of refrigerant-related (fluoro)methanes: methane (CH4), fluoromethane (CH3F)...
Single-Component Adsorption Equilibria of CO2, CH4, Water, and Acetone on Tapered Porous Carbon Molecular Sieves [0.03%]
单组分吸附平衡：针状孔碳分子筛上CO2、CH4、水和丙酮的吸附行为
Ojuolape O Oghenetega,Pasquale Fulvio,N Scott Bobbitt et al.
Ojuolape O Oghenetega et al.
Engineered carbon molecular sieves (CMSs) with tapered pores, high surface area, and high total pore volume were investigated for their CO2, CH4, water, and acetone adsorption properties at 288.15, 298.15, 308.15 K, and pressures of
Interfacial Tensions, Solubilities, and Transport Properties of the H2/H2O/NaCl System: A Molecular Simulation Study [0.03%]
H2/H2O/NaCl体系的界面张力，溶解性和传输特性的分子模拟研究
W A van Rooijen,P Habibi,K Xu et al.
W A van Rooijen et al.
Data for several key thermodynamic and transport properties needed for technologies using hydrogen (H2), such as underground H2 storage and H2O electrolysis are scarce or completely missing. Force field-based Molecular Dynamics (MD) and Con...
Modeling the Thermodynamic Properties of Saturated Lactones in Nonideal Mixtures with the SAFT-γ Mie Approach [0.03%]
SAFT-γ Mie方法在非理想混合物中模拟饱和内酯的热力学性质
Thomas Bernet,Malak Wehbe,Sara A Febra et al.
Thomas Bernet et al.
The prediction of the thermodynamic properties of lactones is an important challenge in the flavor, fragrance, and pharmaceutical industries. Here, we develop a predictive model of the phase behavior of binary mixtures of lactones with hydr...
Vapor pressure measurements on linalool using a rapid and inexpensive method suitable for cannabis-associated terpenes† [0.03%]
使用快速且成本低廉的方法对醇醇的蒸气压进行测量，该方法适用于大麻相关萜烯†
Cheryle N Beuning,Tara M Lovestead,Marcia L Huber et al.
Cheryle N Beuning et al.
Vapor pressure (psat) data are needed to assess the potential use of terpenes as breath markers of recent cannabis use. Herein, a recently introduced gas-saturation method for psat measurements, known as dynamic vapor microextraction (DVME)...
Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables [0.03%]
基于微观和宏观实验观测的三站点刚性水模型多目标自动优化的经验教训
Mattia Perrone,Riccardo Capelli,Charly Empereur-Mot et al.
Mattia Perrone et al.
The development of accurate water models is of primary importance for molecular simulations. Despite their intrinsic approximations, three-site rigid water models are still ubiquitously used to simulate a variety of molecular systems. Autom...
Four-Body Nonadditive Potential Energy Surface and the Fourth Virial Coefficient of Helium [0.03%]
氦的四体非加和势能面及其四virial系数
Richard J Wheatley,Giovanni Garberoglio,Allan H Harvey
Richard J Wheatley
The four-body nonadditive contribution to the energy of four helium atoms is calculated and fitted for all geometries for which the internuclear distances exceed a small minimum value. The interpolation uses an active learning approach base...