Session: Multiscale Modeling: Methods and Applications (2012 Annual Meeting)

Description:

Many problems in chemical engineering are governed by time and length scales that differ by several orders of magnitude. Bridging these scales with integrated, multi-scale models is a challenging problem. Papers are solicited on novel, integrated multi-scale modeling methods with emphasis on discussion of algorithmic details and applications in chemical and biological engineering.

Sponsor:

Applied Mathematics and Numerical Analysis

Chair:

Panagiotis Dimitrakopoulos
Associate Professor
University of Maryland
Chemical and Biomolecular Engineering
2113 Chemical Engineering
College Park, MD 20742-2111
Fax Number: 301-405-0523
Email: dimitrak@umd.edu

Co-Chair:

Ubaldo Cordova
Assistant Professor
University of Puerto Rico at Mayagüez
Chemical Engineering
Mayaguez, PR 00680
Email: ubaldom.cordova@upr.edu

Papers:

362a

Atomistic/Molecular Scale Integration of Polymer/Solid Surface Interaction Models
Robert L. Smith, Carnegie Mellon University; Lorenz T. Biegler, Carnegie Mellon University; Myung S. Jhon, Carnegie Mellon University

362b

Multiscale Models for Characterizing the Pore Structure of Biochars
Hao Sun, Rice University; Caroline A. Masiello, Rice University; Kyriacos Zygourakis, Rice University

362c

Modeling of Globular Protein Crystal Growth Via Kinetic Monte Carlo Simulations
Michael Nayhouse, UCLA; Panagiotis D. Christofides, University of California, Los Angeles; Gerassimos Orkoulas, University of California, Los Angeles; Sangil Kwon, UCLA

362d

First Principles Modeling of Atomic Layer Deposition (ALD) Surface Reaction and Process Dynamics Using Absolute Reaction Rate Theory
Curtisha D. Travis, University of Maryland; Raymond A. Adomaitis, University of Maryland

362e

Multiscale Modelling of Backspillover Processes in Electrochemically Promoted Systems
Ioannis S. Fragkopoulos, University of Manchester; Ioannis Bonis, University of Manchester; Constantinos Theodoropoulos, University of Manchester

362f

Accelerated Kinetic Monte Carlo (KMC) Algorithm for off-Lattice Particle- Based Reaction-Diffusion Systems
Vikram Thapar, Cornell University; Paulette Clancy, Cornell University

362g

Enforcing Elemental Mass and Energy Balances for Reduced Order Models Generated From CFD Simulations
Jinliang Ma, URS Corporation; Christopher J. Montgomery, URS Corporation; Khushbu Agarwal, Pacific Northwest National Laboratory; Poorva Sharma, Pacific Northwest National Laboratory; Yi-dong Lang, Carnegie Mellon University; David E. Huckaby, National Energy technology Laboratory; Stephen E. Zitney, National Energy Technology Laboratory; Ian Gorton, Pacific Northwest National Laboratory; Deb Agarwal, Lawrence Berkeley National Laboratory; David C. Miller, National Energy Technology Laboratory

See more of this Group/Topical: Computing and Systems Technology Division

<< Previous Session | Next Session >>