Results 11 to 20 of about 3,443,174 (389)

Implementation of the Semi Empirical Kinetic Soot Model Within Chemistry Tabulation Framework for Efficient Emissions Predictions in Diesel Engines [PDF]

Open Physics, 2019
Soot prediction for diesel engines is a very important aspect of internal combustion engine emissions research, especially nowadays with very strict emission norms. Computational Fluid Dynamics (CFD) is often used in this research and optimisation of CFD
Tvrdojevic Mijo, Vujanovic Milan, Priesching Peter, Tap Ferry A., Starikov Anton, Goryntsev Dmitry, Gavaises Manolis   +6 more
doaj   +2 more sources

Fractional paradigms in quantum chemistry [PDF]

International Journal of Quantum Chemistry, 2021
AbstractThe realization of fractional quantum chemistry is presented. Adopting the integro‐differential operators of the calculus of arbitrary‐order, we develop a general framework for the description of quantum nonlocal effects in the complex electronic environments.
openaire   +1 more source

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry

Journal of Chemical Theory and Computation, 2022
The Crystal program for quantum-mechanical simulations of materials has been bridging the realm of molecular quantum chemistry to the realm of solid state physics for many years, since its first public version released back in 1988.
A. Erba, J. Desmarais, S. Casassa, B. Civalleri, L. Donà, I. Bush, B. Searle, L. Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, E. Ascrizzi, N. L. Marana, J. Flament, B. Kirtman   +14 more
semanticscholar   +1 more source

A Study on Structure and Property of Special Sulfonated Petroleum as a Complicated Anionic Surfactant [PDF]

Journal of Petroleum Science and Technology, 2018
Alkaline/surfactant/polymer (ASP) flooding has been extensively applied to enhancing oil recovery. As an oil displacement agent, pe1troleum sulfonate (PS) is widely used in ASP pilot experiments.
Fang Yu
doaj   +1 more source

Microstructure, chemistry, and origin of grain rims on ilmenite from the lunar soil finest fraction [PDF]

, 1996
R. Christoffersen, D. S. McKay, L. P. Keller   +2 more
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Metabolite profile and in vitro cholinesterase inhibitory activity of extract and fractions of Aaptos suberitoides [PDF]

Journal of Pharmacy & Pharmacognosy Research, 2023
Context: Marine sources such as sponges have shown a significant impact on the drug development from nature. Metabolites isolated from sponges show diversity in terms of structural features and pharmacological properties.
Hanifa R. Putri, Rhesi Kristiana, I Wayan Mudianta, Edwin Setiawan, Aty Widyawaruyanti, Nitra Nuengchamnong, Nungruthai Suphrom, Suciati Suciati   +7 more
doaj   +1 more source

The Effects of Iron-Bearing Intermetallics on the Fitness-for-Service Performance of a Rare-Earth-Modified A356 Alloy for Next Generation Automotive Powertrains

Metals, 2021
Aimed at improving the tensile strength and creep resistance of a rare earth-modified A356 alloy, this study adjusted the Mg and Mn concentration in the alloy, specifically aiming to transform the harmful Al5FeSi and Al9FeSi3Mg5 phase into Al15(Fe,Mn ...
Joshua Stroh, Dimitry Sediako, David Weiss   +2 more
doaj   +1 more source

Fraction B From Catfish Epidermal Secretions Kills Pancreatic Cancer Cells, Inhibits CD44 Expression and Stemness, and Alters Cancer Cell Metabolism

Frontiers in Pharmacology, 2021
Pancreatic ductal adenocarcinoma (PDAC) is the fourth leading cause of cancer related death in western countries. The successful treatment of PDAC remains limited. We investigated the effect of Fraction B, which is a fraction purified from catfish (Arius
Jassim M. Al-Hassan, Daoyan Wei, Sharmistha Chakraborty, Tara Conway, Patrea Rhea, Bo Wei, Megan Tran, Mihai Gagea, Mohammad Afzal, Sosamma Oommen, Divya Nair, Bincy M. Paul, Peiying Yang   +12 more
doaj   +1 more source

Implementation of Chemistry in the Athena++ Code

The Astrophysical Journal Supplement Series, 2023
Chemistry plays a key role in many aspects of astrophysical fluids. Atoms and molecules are agents for heating and cooling, determine the ionization fraction, serve as observational tracers, and build the molecular foundation of life.
Munan Gong, Ka Wai Ho, James M. Stone, Eve C. Ostriker, Paola Caselli, Tommaso Grassi, Chang-Goo Kim, Jeong-Gyu Kim, Goni Halevi   +8 more
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Fractional Quantum Chemistry [PDF]

, 2021
The realization of fractional quantum chemistry is presented. Adopting the integro-differential operators of the calculus of arbitrary-order, we develop a general framework for the description of quantum nonlocal effects in the complex electronic environments. After a brief overview of the historical and fundamental aspects of the calculus of arbitrary-
openaire   +1 more source