Reactor dynamics investigation based on calorimetric data
Sign Up to like & getrecommendations! Published in 2017 at "Canadian Journal of Chemical Engineering"
DOI: 10.1002/cjce.22700
Abstract: A simple and general procedure has been developed to determine the thermal behaviour of a reactor based on heat balance, PID temperature control, and jacket behaviour. Using only temperature heating/cooling ramps followed by isothermal stages,… read more here.
Keywords: based calorimetric; investigation; reactor; investigation based ... See more keywords
Molecular dynamics investigation of soliton propagation in a two‐dimensional Yukawa liquid
Sign Up to like & getrecommendations! Published in 2020 at "Contributions to Plasma Physics"
DOI: 10.1002/ctpp.201900197
Abstract: We investigate via molecular dynamics simulations the propagation of solitons in a two‐dimensional many‐body system characterized by Yukawa interaction potential. The solitons are created in an equilibrated system by the application of electric field pulses.… read more here.
Keywords: propagation; magnetic field; two dimensional; molecular dynamics ... See more keywords
Molecular Dynamics Investigation into the Distribution of Cardiolipin Variants in Flat and Buckled Heterogeneous Bilayers
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2016.11.1218
Abstract: Cardiolipin is a unique lipid molecule, which has an unusual dimeric structure with a dual-phosphate headgroup and four acyl chains. In most eukaryotic membranes cardiolipin is absent or present only at very low concentrations, however… read more here.
Keywords: molecular dynamics; cardiolipin; distribution cardiolipin; investigation distribution ... See more keywords
Molecular Dynamics Investigation on Coke Ash Behavior in the High-Temperature Zones of a Blast Furnace: Influence of Alkalis
Sign Up to like & getrecommendations! Published in 2017 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.7b02795
Abstract: With specific focus on local structural order, bonding networks, transport properties, and viscosity of the molten ash oxides, we report molecular dynamics simulations on the influence of alkalis (Na2O and K2O) on coke behavior within… read more here.
Keywords: molecular dynamics; relative proportions; blast furnace; influence alkalis ... See more keywords
Atomistic Dynamics Investigation of the Thermomechanical Properties and Li Diffusion Kinetics in ψ-Graphene for LIB Anode Material.
Sign Up to like & getrecommendations! Published in 2018 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.8b11476
Abstract: A fundamental understanding of the thermomechanical properties of electrode materials and Li-ion diffusion kinetics is indispensable for designing high-performance Li-ion batteries (LIBs) with high structural stability and safety. Herein, we performed both molecular dynamics (MD)… read more here.
Keywords: properties diffusion; investigation thermomechanical; thermomechanical properties; dynamics investigation ... See more keywords
Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Simulation"
DOI: 10.1080/08927022.2021.2015066
Abstract: ABSTRACT Ivermectin (D1), an FDA-approved drug, is mainly used as an inhibitor for the treatment of parasitic infections. This drug was drawn attention due to its effectiveness in COVID-19 treatment. In this work, we investigated… read more here.
Keywords: heterodimer molecular; heterodimer; investigation ivermectin; molecular dynamics ... See more keywords
A Computational Fluid Dynamics Investigation of a Flapping Hydrofoil as a Thruster
Sign Up to like & getrecommendations! Published in 2023 at "Biomimetics"
DOI: 10.3390/biomimetics8020135
Abstract: The paper features a computational fluid dynamics study of a flapping NACA0015 hydrofoil moving with a combination of sinusoidal heaving and pitching. Several kinematic configurations are explored, varying sequentially pitch and heave amplitude, Strouhal number… read more here.
Keywords: hydrofoil; computational fluid; dynamics investigation; fluid dynamics ... See more keywords
A Molecular Dynamics Investigation of the Temperature Effect on the Mechanical Properties of Selected Thin Films for Hydrogen Separation
Sign Up to like & getrecommendations! Published in 2020 at "Membranes"
DOI: 10.3390/membranes10090241
Abstract: In this study, we performed nanoindentation test using the molecular dynamic (MD) approach on a selected thin film of palladium, vanadium, copper and niobium coated on the vanadium substrate at a loading rate of 0.5… read more here.
Keywords: thin films; temperature; molecular dynamics; selected thin ... See more keywords
Molecular Dynamics Investigation of Hyaluronan in Biolubrication
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14194031
Abstract: Aqueous solution of strongly hydrophilic biopolymers is known to exhibit excellent lubrication properties in biological systems, such as the synovial fluid in human joints. Several mechanisms have been proposed on the biolubrication of joints, such… read more here.
Keywords: biolubrication; hyaluronan biolubrication; lubrication; molecular dynamics ... See more keywords