Hydrogen storage Different approaches(results consistent with other numerical results) Single tube,T=265 Three tubes,T=265 Three tubes,T=77 Physisorption:

Slides:

Advertisements

Similar presentations

Biological fluid mechanics at the micro‐ and nanoscale Lecture 7: Atomistic Modelling Classical Molecular Dynamics Simulations of Driven Systems Anne Tanguy.

Advertisements

MECH 221 FLUID MECHANICS (Fall 06/07) Chapter 7: INVISCID FLOWS

Bonding to surfaces Two classifications distinguished by the magnitude of their enthalpies of adsorption  Physisorption: long-range but weak van der Waals-type.

Molecular Simulation. Molecular Simluation Introduction: Introduction: Prerequisition: Prerequisition: A powerful computer, fast graphics card, A powerful.

Atomistic Mechanisms for Atomistic Mechanisms for Grain Boundary Migration Grain Boundary Migration  Overview of Atomistic Simulations of Grain Boundary.

Dr. Jie ZouPHY Chapter 43 Molecules and Solids.

Atomistic Mechanism for Grain Boundary Migration: Molecular Dynamics Studies Hao Zhang a, David J. Srolovitz a, Jack F. Douglas b, and James A. Warren.

Bioinf. Data Analysis & Tools Molecular Simulations & Sampling Techniques117 Jan 2006 Bioinformatics Data Analysis & Tools Molecular simulations & sampling.

1 Hydrogen Storage with Carbon Nanotubes Andrew Musser.

Introduction to Scientific Computing II Molecular Dynamics – Introduction Dr. Miriam Mehl Institut für Informatik Scientific Computing In Computer Science.

Molecular Dynamics Simulation Solid-Liquid Phase Diagram of Argon ZCE 111 Computational Physics Semester Project by Gan Sik Hong (105513) Hwang Hsien Shiung.

CZ5225 Methods in Computational Biology Lecture 4-5: Protein Structure and Structural Modeling Prof. Chen Yu Zong Tel:

Computational Nanotechnology A preliminary proposal N. Chandra Department of Mechanical Engineering Florida A&M and Florida State University Proposed Areas.

How Can Forces Affect Objects?. Slow them down Speed them up Stop them Start them Change their direction Change their shape.

Computational Chemistry Molecular Mechanics/Dynamics F = Ma Quantum Chemistry Schr Ö dinger Equation H  = E 

8. Selected Applications. Applications of Monte Carlo Method Structural and thermodynamic properties of matter [gas, liquid, solid, polymers, (bio)-macro-

Electric Current AP Physics C Montwood High School R.Casao.

CONDITIONS FOR CREATING THIN LIQUID LAYERS AT THE CONTACT SURFACE OF TWO OTHER LIQUIDS Agnieszka Słowicka Zbigniew A. Walenta Institute of Fundamental.

Gas Behavior formulas from models § 17.1–17.2. Ideal Gas Model molecules: non-interacting point masses collide elastically with surfaces Temperature T.

10/3/2003 Molecular and Cellular Modeling 10/3/2003 Introduction Objective: to construct a comprehensive simulation software system for the computational.

7. Lecture SS 2005Optimization, Energy Landscapes, Protein Folding1 V7: Diffusional association of proteins and Brownian dynamics simulations Brownian.

Chapter 9: Motion and Forces

Mechanics of defects in Carbon nanotubes S Namilae, C Shet and N Chandra.

Physical Fluid Dynamics by D. J. Tritton What is Fluid Dynamics? Fluid dynamics is the study of the aforementioned phenomenon. The purpose.

The OTHER TWO states of matter LIQUIDS A decrease in the average kinetic energy of gas particles causes the temperature to decrease. As it cools, the.

Adsorption Modeling of physisorption in porous materials Part 1 European Master Bogdan Kuchta Laboratoire MADIREL Université Aix-Marseille.

Aim- Nanomaterials of structure as shown The emulsion with thin layers of third substance at the surface between oil and water The structure of nanomaterial.

The cyclotron The cyclotron was first designed to avoid the need for a long linear accelerator to obtain high energy particles. It consists of two semicircular.

Unit 2- Force and Motion Vocabulary- Part I. Frame of Reference  A system of objects that are not moving with respect to each other.

Mechanics of Materials Shear Stress and Shear Flow In Beams))

Namas Chandra and Sirish Namilae

S OLID S TATE AND S URFACE C HEMISTRY ( LECTURE 10) Dr. Saeda Rwede Al-Mhyawi Assistant professor in physical chemistry Contact Info:

T. Qiu and J. P. Huang Department of Physics, Fudan University, Shanghai , China Water Nanowheel: Unprecedentedly Fast Transport of Rolling Water.

Jari Koskinen 1 Thin Film Technology Lecture 2 Vacuum Surface Engineering Jari Koskinen 2014.

1 of 21 SDA development -Description of sda Description of sda-5a - Sda for docking.

Why do molecules form? Molecular bonds Rotations Vibrations Spectra Complex planar molecules Molecules CHAPTER 9 Molecules Johannes Diderik van der Waals.

Nanocomposite Materials Laboratory

36th Dayton-Cincinnati Aerospace Sciences Symposium

Thermal Properties of Matter

ADSORPTION The removal of dissolved substances from solution using adsorbents such as activated carbon.

Swiss PDB Viewer (SPDBV) program

Adsorption and ion exchange

Chapter 9. Properties of Gases and the Kinetic Molecular Theory

CHAPTER 14 Gases 14.2 The Gas Laws.

Ionic and Metallic Bonding

Introduction to Molecular Simulation

When Intermolecular Forces Rule

Lecture 5.1 – Intermolecular Forces and the Dissolving Process

Find the area of the region enclosed by one loop of the curve. {image}

♠ ♠ ♠ ♠ ♠ ♠ ♠ ♠ Objectives القرص الدوار والدولاب مجلس أبوظبي للتعليم

1. Numerical Simulation in Real Time Operation

Giovanni Settanni, Antonino Cattaneo, Paolo Carloni

CZ5225 Methods in Computational Biology Lecture 7: Protein Structure and Structural Modeling Prof. Chen Yu Zong Tel:

Chapter10 Gases.

Introduction to Scientific Computing II

Unit 2- Force and Motion Vocabulary- Part I.

Liqun Zhang, Susmita Borthakur, Matthias Buck Biophysical Journal

Volume 86, Issue 3, Pages (March 2004)

Molecular Recognition of CXCR4 by a Dual Tropic HIV-1 gp120 V3 Loop

The band structure shows that the system is metallic.

Anandh Subramaniam & Kantesh Balani

Molecular Dynamics(MD)

Volume 104, Issue 9, Pages (May 2013)

Mehrdad Mehrbod, Stephen Trisno, Mohammad R.K. Mofrad

Vinculin Activation Is Necessary for Complete Talin Binding

Anandh Subramaniam & Kantesh Balani

Presentation transcript:

Hydrogen storage Different approaches(results consistent with other numerical results) Single tube,T=265 Three tubes,T=265 Three tubes,T=77 Physisorption: Results suggest that tubes should be kept mechanically separated. After simulation Storage inside nanotube: Potentially very effective (Here at 14.3wt%). Interesting flow dynamics issues at ends. After simulation After simulation Chemisorption inside and outside tube: inside is not stable but outside is stable After 15ps isothermal simulation At the beginning(5,5) d=7.82A

Hydrogen storage Mechanical approaches towards adsorption and desorption A B C D E

Hydrogen storage Smashing nanotubes into hydrogen molecular at high speed: (Van der Waals force is ignored)

Hydrogen storage

Hydrogen storage

Hydrogen storage

Scientific Issues Surface Forces: May affect the entire domain Chemisorption Free path length May become global Geometric Restrictions Rotational motions, anisotropies, locking Interpolation Ensemble Averages Virial Stresses Stress-strain relationship Benchmark flows Poisseuille flows Couette Flows After 15ps isothermal simulation At the beginning(5,5) d=7.82A