Search results for "THERMODYNAMICS"

COOLING RATE DEPENDENCE AND DYNAMIC HETEROGENEITY BELOW THE GLASS TRANSITION IN A LENNARD–JONES GLASS

1999

We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influence of the cooling rate on the glass transition and on the resulting glass. We find for all investigated quantities a cooling rate dependence; with decreasing cooling rate the system falls out of equilibrium at decreasing temperatures, reaches lower enthalpies and obtains increasing local order. Next we study the dynamics of the melting process by investigating the most immobile and most mobile particles in the glass. We find that their spatial distribution is heterogene…

Polymer-enforced crystallization of a eutectic binary hard sphere mixture

2010

We prepared a buoyancy matched binary mixture of polydisperse polystyrene microgel spheres of size ratio 0.785 and at a volume fraction of 0.567 just below the kinetic glass transition. In line with theoretical expectations, a eutectic phase behavior was observed, but only a minor fraction of the samples crystallized at all. By adding a short non-adsorbing polymer we enforce inter-species fractionation into coexisting pure component crystals, which in turn also shows signs of intra-species fractionation. We show that in formerly inaccessible regions of the phase diagram binary hard sphere physics is made observable using attractive hard spheres. Ancillary files: Correction to Soft Matter 20…

Surface effects on kinetics of ordering

1992

We study the effects of surfaces on the kinetics of phase changes in Ising-type systems. If the surface effects can be modelled by a field which couples linearly to the local order parameter, the growth of wetting or drying layers occurs. The numerical solution of the corresponding time-dependent Ginzburg-Landau equation yields a temporally logarithmic growth for the thickness of a wetting (drying) layer growing from an unstable dry (wet) state. On the other hand, if one starts off with a metastable state, the radius of a supercritical plug (wet or dry) grows linearly in time, in accordance with recent experimental results.

From the Powder to the Electro and/or Magnetic Ceramic Component: Fine Grain Size and Properties

1997

Hydrodynamics of a three-phase fixed-bed reactor operating in the pulsing flow regime at an elevated pressure

2002

Abstract Results are presented for a three-phase reactor operating at an elevated pressure in the pulsing flow regime. For the system air–water and pressures of 0.1– 0.9 MPa lines are determined that define the change of the hydrodynamic model from the gas continuous flow regime (GCF) to the pulsing flow regime (PF). Also, parameters are found that characterize the pulsing flow of fluids, namely the velocity of pulses travelling along the bed, the frequency of pulsations and their structure, i.e., the length of the pulses and that of the liquid-rich zone.

Electrochemical conversion of CO2 to HCOOH at tin cathode in a pressurized undivided filter-press cell

2018

Abstract The electrochemical reduction of carbon dioxide to formic acid was performed for the first time in a pressurized filter-press cell with a continuous recirculation of the electrolytic solution (0.9 L) at a tin cathode. It was shown that the performances of the system are comparable or slightly better than that of a batch system with a smaller volume (0.05 L). The selection of proper values of both current density and CO2 pressure allowed to achieve quite high values of faradaic efficiencies. Long-time electrolyses have shown that the system is stable and that it can allow to generate quite high concentrations of HCOOH (about 0.4 M).

VAPORIZATION CHARACTERISTICS OF ETHANOL AND 1-PROPANOL DROPLETS AT HIGH TEMPERATURES

2012

International audience; A detailed description of the vaporization of an isolated droplet has been carried out in this experimental study aimed at investigating ethanol and another aliphatic alcohol, 1-propanol. The characterization of the vaporization phenomenon is necessary for this liquid fuel to develop efficient design of injection systems for propulsion and power generation. Particularly, the vaporization rates and their dependency on temperature, important features for modeling and design, are explored for both ethanol and 1-propanol at intermediate to high temperatures. The experimental setup consists of a pressure chamber in which the furnace, the droplet formation, the droplet sup…

Methyl-3-Hexenoate Combustion Chemistry: Experimental Study and Numerical Kinetic Simulation

2020

International audience; This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. …

Gas Transport in Mixed Matrix Membranes: Two Methods for Time Lag Determination

2020

The most widely used method to measure the transport properties of dense polymeric membranes is the time lag method in a constant volume/pressure increase instrument. Although simple and quick, this method provides only relatively superficial, averaged data of the permeability, diffusivity, and solubility of gas or vapor species in the membrane. The present manuscript discusses a more sophisticated computational method to determine the transport properties on the basis of a fit of the entire permeation curve, including the transient period. The traditional tangent method and the fitting procedure were compared for the transport of six light gases (H2, He, O2, N2, CH4, and CO2) and ethane an…

Interfacial premelting of ice in nano composite materials

2018

Physical chemistry, chemical physics 21, 3734 - 3741 (2019). doi:10.1039/C8CP05604H