Complementary surface second harmonic generation and molecular dynamics investigation of the orientation of organic dyes at a liquid/liquid interface.

Investigation of isomorph-invariance in liquid methane by molecular dynamics simulation

In this paper, isomorph invariance of liquid methane is investigated by means of constant-NVT molecular dynamics simulations. According to the data extracted from simulations, equilibrium fluctuations show strong correlation between potential energy U and virial W. We also generated isomorph state points and investigated invariance of certain thermodynamic, structural, and dynamical properties....

Optical Second-harmonic Generation Measurements of Molecular Adsorption and Orientation at the LiquidlLiquid Electrochenical Interface

The surface-sensitive spectroscopic technique of optical second-harmonic generation (SHG) is applied to the in situ study of molecular adsorption at the interface between two immiscible electrolyte solutions (ITIES). The resonant SHG from molecules which exhibit a large non-linear optical response at a specific wavelength can be used to measure the relative surface coverage of surfactants at th...

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

An Improvement in Fluorocarbon Chain Re-orientation by Reactive Dyes

There is an increasing demand for air-dry performance of fluorocarbon finished materials. Thus, dyeing with different types of reactive, mono, bi, and multi-functional, dyes was evaluated as a novel treatment to create correct surface interface to maintain fluorocarbon performance without ironing or tumble drying. The effects of pre-treatment on fluorocarbon finishing of cotton fabric, a cellul...

Studies of Molecular Properties at the Surface of a Liquid Jet by Second Harmonic Generation

We report the use of second harmonic generation (SHG) to study kinetics of adsorption of p-nitrophenol at the air/water interface of a flowing jet. Measurements of the SH signal strength and the polarization of the SH light at various distances (times) along the jet axis yield information about the development of the population density and orientation of nitrophenol at the air/ water interface....