Search results for " Dynamic"
showing 10 items of 4727 documents
Time resolved measurements of hydrogen ion energy distributions in a pulsed 2.45 GHz microwave plasma
2017
A plasma diagnostic study of the Ion Energy Distribution Functions (IEDFs) of H+, H+2H2+, and H+3H3+ ions in a 2.45 GHz hydrogen plasma reactor called TIPS is presented. The measurements are conducted by using a Plasma Ion Mass Spectrometer with an energy sector and a quadrupole detector from HIDEN Analytical Limited in order to select an ion species and to measure its energy distribution. The reactor is operated in the pulsed mode at 100 Hz with a duty cycle of 10% (1 ms pulse width). The IEDFs of H+, H+2H2+, and H+3H3+ are obtained each 5 μs with 1 μs time resolution throughout the entire pulse. The temporal evolution of the plasma potential and ion temperature of H+ is derived from the d…
Magnetic field control of gas-liquid mass transfer in ferrofluids
2020
Abstract Gas-liquid mass transfer plays a key role in a broad range of industrial processes. The magnetic field control over the morphology of the gas-liquid interface and solute transport is an attractive feature if it can be realized efficiently. However, the magnetic properties of typical liquids and gases are rather weak. The experimental investigation is carried out to evaluate the effect of the magnetic field, which is mediated by magnetic nanoparticles, on the gas-liquid mass exchange during the sparging run through a hydrocarbon ferrofluid. The results indicate that the gradient field is especially effective at controlling the gas-liquid contact volume: the foaming of the liquid dur…
Spontaneous order in ensembles of rotating magnetic droplets
2019
Ensembles of elongated magnetic droplets in a rotating field are studied experimentally. In a given range of field strength and frequency the droplets form rotating structures with a triangular order - rotating crystals. A model is developed to describe ensembles of several droplets, taking into account the hydrodynamic interactions between the rotating droplets in the presence of a solid wall below the rotating ensemble. A good agreement with the experimentally observed periodic dynamics for an ensemble of four droplets is obtained. During the rotation, the tips of the elongated magnetic droplets approach close to one another. An expression is derived that gives the magnetic interaction be…
Low complexity digital background calibration algorithm for the correction of timing mismatch in time-interleaved ADCs
2019
Abstract A low-complexity post-processing algorithm to estimate and compensate for timing skew error in a four-channel time-interleaved analog to digital converter (TIADC) is presented in this paper, together with its hardware implementation. The Lagrange interpolator is used as the reconstruction filter which alleviates online interpolator redesign by using a simplified representation of coefficients. Simulation results show that the proposed algorithm can suppress error tones for input signal frequency from 0 to 0.4 f s . The proposed structure has, at least, 41% reduction in the number of required multipliers. Implementation of the algorithm, for a four-channel 10-bit TIADC, show that, f…
Space‐vector state dynamic model of SynRM considering self‐ and cross‐saturation and related parameter identification
2020
This study proposes a state formulation of the space-vector dynamic model of the Synchronous Reluctance Motor (SynRM) considering both saturation and cross-saturation effects. The proposed model adopts the stator currents as state variables and has been theoretically developed in both the rotor and stator reference frames. The proposed magnetic model is based on a flux versus current approach and relies on the knowledge of 11 parameters. Starting from the definition of a suitable co-energy variation function, new flux versus current functions have been initially developed, based on the hyperbolic functions and, consequently, the static and dynamic inductance versus current functions have be…
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
2017
Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …
A quantum dynamics study of the benzopyran ring opening guided by laser pulses
2014
Abstract The ring-opening photoisomerization of benzopyran, which occurs via a photochemical route involving a conical intersection, has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method (MCTDH). We introduce a mechanistic strategy to control the conversion of benzopyran to merocyanine with laser pulses. We use a six-dimensional model developed in a previous work for the potential energy surfaces (PES) based on an extension of the vibronic-coupling Hamiltonian model (diabatization method by ansatz), which depends on the most active degrees of freedom. The main objective of these quantum dynamics simulations is to provide a set of str…
Quantum dynamics of 16O in collision with ortho- and para-17O17O
2017
Abstract We report full quantum dynamical observables, such as integral and differential cross sections and rate constants, for the 16 O + 17 O 17 O reactive collision process. We particularly emphasize the effect coming from the nonzero nuclear spin of 17 O, leading to two nuclear spin isomers of 34 O 2 , ortho- and para- 34 O 2 which can be studied independently and behave differently. A comparison with the 16 O + 18 O 18 O collision is given. We find that processes involving 17 O 17 O are always faster than with 18 O 18 O.
Force probe simulations of a reversibly rebinding system: Impact of pulling device stiffness.
2017
We present a detailed study of the parameter dependence of force probe molecular dynamics (FPMD) simulations. Using a well studied calix[4]arene catenane dimer as a model system, we systematically vary the pulling velocity and the stiffness of the applied external potential. This allows us to investigate how the results of pulling simulations operating in the constant velocity mode (force-ramp mode) depend on the details of the simulation setup. The system studied has the further advantage of showing reversible rebinding meaning that we can monitor the opening and the rebinding transition. Many models designed to extract kinetic information from rupture force distributions work in the limit…
Gas-Phase Synthesis of the Elusive Trisilicontetrahydride Species (Si3H4)
2016
The bimolecular gas-phase reaction of ground-state atomic silicon (Si; 3P) with disilane (Si2H6; 1A1g) was explored under single-collision conditions in a crossed molecular beam machine at a collision energy of 21 kJ mol–1. Combined with electronic structure calculations, the results suggest the formation of Si3H4 isomer(s) along with molecular hydrogen via indirect scattering dynamics through Si3H6 collision complex(es) and intersystem crossing from the triplet to the singlet surface. The nonadiabatic reaction dynamics can synthesize the energetically accessible singlet Si3H4 isomers in overall exoergic reaction(s) (−93 ± 21 kJ mol–1). All reasonable reaction products are either cyclic or …