Lattice Boltzmann in micro- and nano- flow simulations [PDF]
, 2009 This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the ...
2nd Micro and Nano Flows Conference (MNF2009) +1 more
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A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery [PDF]
, 2020 Target engagement by small-molecules is necessary for producing a physiological outcome. In the past, a lot of emphasis was placed on understanding the thermodynamics of such interactions to guide structure-activity relationship.
Puneet, Khurana +4 more
core +1 more source
Kinetic Study of Disulfonimide Catalyzed Cyanosilylation of Aldehyde Using a Method of Progress Rates [PDF]
, 2020 Kinetic study of organic reactions, especially multistep catalytic reactions, is crucial to in-depth understanding of reaction mechanisms. Here we report our kinetic study of the chiral disulfonimide catalyzed cyanosilylation of aldehyde, which reveals ...
Benjamin, List +2 more
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Conservative numerical methods for model kinetic equations [PDF]
, 2007 A new conservative discrete ordinate method for nonlinear model kinetic equations is proposed. The conservation property with respect to the collision integral is achieved by satisfying at the discrete level approximation conditions used in deriving the ...
Titarev, Vladimir A.
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Energies, 2022 Biomass pyrolysis is considered as a thermochemical conversion system that is performed under oxygen-depleted conditions. A large body of literature exists in which thermodynamic equilibrium (TE) and kinetic approaches have been applied to predict ...
Sahar Safarian +2 more
doaj +1 more source
The Activation-Relaxation Technique : ART nouveau and kinetic ART [PDF]
, 2012 The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that
Brommer, Peter +8 more
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A kinetic method for the determination of phenol [PDF]
Journal of the Serbian Chemical Society, 2002 Akinetic method for the determination of phenol is proposed. The method is based on the inhibiting effect of phenol on the Mn(II) catalysis of the oxidation of malachite green with potassium periodate.
Mitić Snežana S. +1 more
doaj +3 more sources
Comparing macroscopic continuum models for rarefied gas dynamics : a new test method [PDF]
, 2006 We propose a new test method for investigating which macroscopic continuum models, among the many existing models, give the best description of rarefied gas flows over a range of Knudsen numbers.
Zheng, Yingsong +2 more
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Kinetic theory of aggregation in granular flow [PDF]
, 2011 This article presents a mathematical formulation of the aggregation kinetics in granular flow. The traditional kinetic theory and its generalized application to granular flow does not allow for particle size to change with time thus cannot be used to ...
L. Liu, Liu, L., Liu, Lande
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Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling [PDF]
, 2021 Gaussian accelerated molecular dynamics (GaMD) is a well-established enhanced sampling method for molecular dynamics (MD) simulations that effectively samples the potential energy landscape of the system by adding a boost potential, which smoothens the ...
Rommie, Amaro +3 more
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