'Jones potential' presentation slideshows

PHY 770 -- Statistical Mechanics 12:00 * - 1:45 P M TR Olin 107

430 views • 25 slides

Adsorption on Single-Walled Carbon Nanohorns

Adsorption on Single-Walled Carbon Nanohorns. Adam Scrivener. What are carbon nanohorns?. Nanostructures made from graphene sheets, forming a dahlia-like structure. Surface area is much greater than graphene, which makes nanohorns a promising material for gas adsorption. What is adsorption?.

656 views • 24 slides

Molecular Dynamics

Molecular Dynamics. Basics (4.1, 4.2, 4.3) Liouville formulation (4.3.3) Multiple timesteps (15.3). Molecular Dynamics. Theory: Compute the forces on the particles Solve the equations of motion Sample after some timesteps. Molecular Dynamics. Initialization

525 views • 24 slides

Interatomic forces

Crystal binding. Interatomic forces

1.12k views • 20 slides

Instability of C 60 fullerene interacting with lipid bilayer

Instability of C 60 fullerene interacting with lipid bilayer. Nanomechanics Group, School of Mathematical Sciences, The University of Adelaide, Adelaide, SA 5005, Australia. Duangkamon Baowan, Barry J. Cox and James M. Hill. 5 th -9 th February, 2012

354 views • 19 slides

Positronium in Quartz: Surface and Bulk

Bernardo Barbiellini Northeastern University Boston, Massachusetts . Positronium in Quartz: Surface and Bulk. Outline. Positron surface states. Why they are useful? Ps interaction with a Quartz surface: the potential calculation by first-principles.

340 views • 19 slides

From clusters of particles to 2D bubble clusters

From clusters of particles to 2D bubble clusters. Edwin Flikkema, Simon Cox IMAPS, Aberystwyth University, UK. Introduction and overview. Introduction: The minimal perimeter problem for 2D equal area bubble clusters. Systems of interacting particles Global optimisation

374 views • 17 slides

Molecular interaction studies on pharmaceutical drug of 2-[1-(aminomethyl) cyclohexyl] acetic acid in water of various c

The measurement of ultrasonic velocity in pure liquids and mixtures is an important tool to study the physico- chemical properties and also explains the nature of molecular interactions. The study of thermodynamic parameters to explain molecular interaction of drugs in aqueous or non- aqueous medium provides useful information in medicinal and pharmaceutical chemistry. In present work molecular interaction of aqueous solution of 2-[1-(aminomethyl) cyclohexyl] acetic acid at different concentrations at 303K was studied by measuring ultrasonic velocity, density and viscosity of the solution. The ultrasonic parameters such as adiabatic compressibility, free volume, free length, acoustic impedance, absorption coefficient, viscous relaxation time, available volume and Lenard Jones Potential were calculated. These parameters explained formation of hydrogen bond and molecular interaction existing in the solution.

104 views • 8 slides