Results 31 to 40 of about 1,357,733 (304)

Computation of Entropy Production in Stratified Flames Based on Chemistry Tabulation and an Eulerian Transported Probability Density Function Approach

open access: yesEntropy, 2022
This contribution presents a straightforward strategy to investigate the entropy production in stratified premixed flames. The modeling approach is grounded on a chemistry tabulation strategy, large eddy simulation, and the Eulerian stochastic field ...
Louis Dressler   +4 more
doaj   +1 more source

Accurate rate coefficients for models of interstellar gas-grain chemistry

open access: yes, 2009
The methodology for modeling grain-surface chemistry has been greatly improved by taking into account the grain size and fluctuation effects. However, the reaction rate coefficients currently used in all practical models of gas-grain chemistry are ...
Barzel   +25 more
core   +1 more source

The Polytropic Equation of State of Interstellar Gas Clouds [PDF]

open access: yes, 2000
Models are presented for the polytropic equation of state of self-gravitating, quiescent interstellar gas clouds. A detailed analysis, including chemistry, thermal balance, and radiative transfer, is performed for the physical state of the gas as a ...
de Jong T.   +8 more
core   +2 more sources

Genome-inspired molecular identification in organic matter via Raman spectroscopy

open access: yes, 2016
Rapid, non-destructive characterization of molecular level chemistry for organic matter (OM) is experimentally challenging. Raman spectroscopy is one of the most widely used techniques for non-destructive chemical characterization, although it currently ...
Bryndzia, L. Taras   +3 more
core   +1 more source

Joint scalar PDF simulations of a bluff-body stabilised flame with the REDIM approach [PDF]

open access: yes, 2009
Transported joint scalar probability density function (PDF) results are presented for ‘Sydney Flame HM3’, a jet type turbulent flame with strong turbulence – chemistry interaction, stabilized behind a bluff body.
Maas, Ulrich   +3 more
core  

Influence of chemical kinetics on spontaneous waves and detonation initiation in highly reactive and low reactive mixtures

open access: yes, 2018
Understanding the mechanisms of explosions is important for minimizing devastating hazards. Due to the complexity of real chemistry, a single-step reaction mechanism is usually used for theoretical and numerical studies.
Liberman, Mikhail   +3 more
core   +1 more source

Bulk and surface energetics of lithium hydride crystal: benchmarks from quantum Monte Carlo and quantum chemistry [PDF]

open access: yes, 2010
We show how accurate benchmark values of the surface formation energy of crystalline lithium hydride can be computed by the complementary techniques of quantum Monte Carlo (QMC) and wavefunction-based molecular quantum chemistry.
D. Alfè   +8 more
core   +2 more sources

A Bibliometric Analysis of Publications in Uremic Toxins From 1991 to 2024

open access: yesTherapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Background Uremic toxins are a growing area of research in nephrology, with significant implications in the progression and treatment of chronic kidney disease (CKD) and the management of end‐stage kidney disease (ESKD). This bibliometric analysis aims to evaluate the global research trends, key contributors, and the impact of publications in ...
Yuh‐Shan Ho   +7 more
wiley   +1 more source

Representation and use of chemistry in the global electronic age. [PDF]

open access: yes, 2004
We present an overview of the current state of public semantic chemistry and propose new approaches at a strategic and a detailed level. We show by example how a model for a Chemical Semantic Web can be constructed using machine-processed data and ...
Murray-Rust, Peter   +3 more
core   +1 more source

Revealing the structure of land plant photosystem II: the journey from negative‐stain EM to cryo‐EM

open access: yesFEBS Letters, EarlyView.
Advances in cryo‐EM have revealed the detailed structure of Photosystem II, a key protein complex driving photosynthesis. This review traces the journey from early low‐resolution images to high‐resolution models, highlighting how these discoveries deepen our understanding of light harvesting and energy conversion in plants.
Roman Kouřil
wiley   +1 more source

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