Results 51 to 60 of about 21,542 (266)

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Tribological Improvement of Low-Viscosity Nanolubricants: MoO₃, MoS₂, WS₂ and WC Nanoparticles as Additives

Lubricants
The aim of this research is studying the tribological performance of MoO3, MoS2, WS2 and WC nanoparticles as additives of PAO4. Pure sliding tribological tests were performed at 120 °C, finding outstanding friction and wear reductions in comparison with ...
José M. Liñeira del Río, Carlos M. C. G. Fernandes, Jorge H. O. Seabra   +2 more
doaj   +1 more source

Thermophysical properties [PDF]

, 1993
Numerous fluids have been identified as promising alternative refrigerants, but much of the information needed to predict their behavior as pure fluids and as components in mixtures does not exist.
Kayser, R.F.
core   +1 more source

Research on Evaporation Characteristics and Safe Storage Duration of Marine Liquid Hydrogen Storage Tanks Under the Coupling Effect of Heat Leakage and Sloshing

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Liquid hydrogen, a zero‐carbon and high–energy‐density fuel, is a promising option for future oceangoing vessels. During maritime transportation, onboard cryogenic tanks are exposed to ambient heat leakage and ship‐induced roll motion, which can trigger sloshing and fundamentally modify the coupled thermo‐fluid processes governing boil‐off and
Yan Deng, Wenfeng Wu, Zhenyu Zhao, Rongsheng Lin, Liangyi Sun, Youfei Liu   +5 more
wiley   +1 more source

Research on Measurement Technology of Thermophysical Properties for Full-Scale Phase Change Material Product in a Container

Applied Sciences, 2019
The thermophysical properties of phase change material include thermal conductivity, heat of absorption, and phase change temperature range. This paper investigates the measurement methods of thermophysical properties for phase change material inside a ...
Yong Wang, Jingmin Dai, Peng Xiao
doaj   +1 more source

A Comparison of Empirical Correlations of Viscosity and Thermal Conductivity of Water-Ethylene Glycol-Al₂O₃ Nanofluids

Nanomaterials, 2020
Because of their superb thermal conductivity, nanofluids are seen as new generation of cooling mediums in many engineering applications. It is well established that even a small amount of nanoparticles mixed with a base fluid may result in distinct ...
Dorota Sawicka, Janusz T. Cieśliński, Slawomir Smolen   +2 more
doaj   +1 more source

Two‐Dimensional Flow and Thermal Energy Transfer in Non‐Newtonian Casson–Carreau Ternary Hybrid Nanofluids Over Stationary and Moving Wedge Surfaces With Radiation and Magnetic Field Effects

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Efficient thermal management in advanced industrial systems requires improved heat transfer performance, particularly under non‐Newtonian fluid behavior and complex surface geometries. This study investigates the two‐dimensional flow and heat transfer characteristics of ternary hybrid nanofluids over both stationary and moving wedge surfaces ...
A. O. Akindele, A. M. Obalalu, M. O. Afolabi, Umair Khan, Samia Elattar   +4 more
wiley   +1 more source

Impact of Cattaneo–Christov Heat and Mass Flux on MHD Hybrid Nanofluid Flow Over an Extending Surface With Convective and Mass Flux Effects

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT This study investigates the flow of a magnetized hybrid nanofluid over a permeable stretching surface. The mass and thermal transport within the system is regulated using the Cattaneo–Christov flux theory. The fluid is additionally subjected to thermophoresis, chemical reaction, Brownian motion, and activation energy effects.
Ebrahem A. Algehyne, Abdul Bariq, Mounirah Areshi, Fahad Maqbul Alamrani, Zehba Raizah, Izharul Haq, Anwar Saeed   +6 more
wiley   +1 more source

THERMOPHYSICAL PROPERTIES OF SODIUM. [PDF]

, 1967
Assessment is given of physical and thermodynamic properties of sodium. FORTRAN subroutine computes enthalphy and entropy of sodium in given state, and composition, molecular weight, volume, and compressibility factor of corresponding vapor. Tabular results for saturated liquid and vapor are presented for a 500-2500 degree F range.
Golden, G. H., Tokar, J. V.
openaire   +2 more sources