Search results for "INTERFACE"

Thermodynamics of Micellization of Sodium Alkyl Sulfates in Water at High Temperature and Pressure

2001

Apparent molar volumes VΦ,S were determined for sodium octyl, decyl, and dodecyl sulfates in water at 2 and 19 MPa from 25 to 130 °C. The shapes of VΦ,S vs the surfactant concentration curves depend on the surfactant alkyl chain, temperature and pressure. The standard partial molar volumes were calculated from data in the premicellar region whereas the partial molar volumes of the surfactant in the micellar phase were obtained from data in the postmicellar region. The partial molar expansibility and compressibility were evaluated from the dependence of the partial molar volume on temperature and pressure, respectively. Attention was focused to the expansibility and its pressure coefficient …

Emissions and spatial variability of N2O, N2 and nitrous oxide mole fraction at the field scale, revealed with 15N isotopic techniques.

2006

Abstract The accurate measurement of nitrous oxide (N 2 O) and dinitrogen (N 2 ) during the denitrification process in soils is a challenge which will help to estimate the contribution of soil N 2 O emissions to global warming. Oxygen concentration, nitrate concentration and carbon availability are generally the main factors that control soil denitrification rate and the amount of N 2 O or N 2 emitted. The aim of this paper is to present a database of the N 2 O mole fraction measured at the field scale, and to test hypotheses concerning its regulation. A 15 N-nitrate tracer solution was added to 36 undisturbed soil cores on a 20 m×20 m cultivated field plot. Fluxes of CO 2 , N 2 O and N 2 f…

Phospholipid and phospholipid-protein monolayers at the air/water interface.

1990

Enhanced Acid Dissociation at the Solid/Liquid Interface

2019

In this chapter we review some recent results from first principles molecular dynamics simulations which show how molecular properties, such as proton dissociation, can be influenced upon adsorption at a solid/liquid interface. In particular, we discuss in details the increased acidity of pyruvic acid at the quartz /water interface, which is of relevance for the chemistry of the atmosphere. Our simulations unveil the special role of the microsolvation at interface, as well as the role of the silanols in stabliziing the deprotonated form of the acid. The enhanced acidity at the hydrophilic quartz/water interface is at odd with what typically found at the water/air interface where acidity is …

Interaction of Nanometric Clay Platelets

2008

International audience; The free energy of interaction between two nanometric clay platelets immersed in an electrolyte solution has been calculated using Monte Carlo simulations as well as direct integration of the configurational integral. Each platelet has been modeled as a collection of charged spheres carrying a unit chargethe face of a platelet contains negative charges, and the edge, positive charges. The calculations predict that a configuration of “overlapping coins” is the global free energy minimum at intermediate salt concentrations (10−100 mM). A second weaker minimum, corresponding to the well-known “house of cards” configuration, also appears in this salt interval. At low sal…

Ion-ion correlation and charge reversal at titrating solid interfaces

2009

Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove et al. and van der Heyden it et al, we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a charge reversal (CR). Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations are instrumental in the creation of highly charged surfaces and responsible for their CR. Finally, we show that charge correlations result in "a…

Mobile supported monolayers of ionic amphiphiles: variation of domain morphology via preadsorbed polyelectrolytes

1992

Revealing the unique features of each individual's muscle activation signatures

2021

International audience; There is growing evidence that each individual has unique movement patterns, or signatures. The exact origin of these movement signatures, however, remains unknown. We developed an approach that can identify individual muscle activation signatures during two locomotor tasks (walking and pedalling). A linear support vector machine was used to classify 78 participants based on their electromyographic (EMG) patterns measured on eight lower limb muscles. To provide insight into decision-making by the machine learning classification model, a layer-wise relevance propagation (LRP) approach was implemented. This enabled the model predictions to be decomposed into relevance …

A Multi-touch Interface for Multi-robot Path Planning and Control

2014

In the last few years, research in human-robot interaction has moved beyond the issues concerning the design of the interaction between a person and a single robot. Today many researchers have shifted their focus toward the problem of how humans can control a multi-robot team. The rising of multi-touch devices provides a new range of opportunities in this sense. Our research seeks to discover new insights and guidelines for the design of multi-touch interfaces for the control of biologically inspired multi-robot teams. We have developed an iPad touch interface that lets users exert partial control over a set of autonomous robots. The interface also serves as an experimental platform to stud…

QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps

2014

The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for the calculation of three-dimensional molecular descriptors (MDs) based on the two-linear (bilinear), three-linear, and four-linear (multilinear or N-linear) algebraic forms. Thus, it is unique software that computes these tensor-based indices. These descriptors, establish relations for two, three, and four atoms by using several (dis-)similarity metrics or multimetrics, matrix transformations, cutoffs, local calculations and aggregation operators. The theoretical background of these N-linear indices is also presented. The QuBiLS-MIDAS software was developed in the Java programming language and …