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Up Directory CCL 15.07.20 ICCES 2015: Application of Modeling and Simulation towards Development of Inherently Safer Processes
From: chemistry-request at
To: chemistry-request at
Date: Sat Mar 28 22:00:40 2015
Subject: 15.07.20 ICCES 2015: Application of Modeling and Simulation towards Development of Inherently Safer Processes
In this mini-symposium, part of ICCES 15 (International Conference on Computational
and Experimental Engineering & Sciences), we invite researchers around the world
working in computational modeling and simulations towards design and development of
new material and processes with safety in mind. Topics may include but are not limited
• Application of quantum mechanical calculations in assessing characteristics
related to safety such as chemical reactivity, runaway reactions, corrosion,
explosion characteristics of high energy materials
• Application of reactive force field based molecular dynamics approaches for
assessing characteristics related to safety of reactive chemicals
• Application of QSPR based model for prediction of material safety characteristics
• Application of computational fluid dynamics or finite element based model for
assessing the consequences from fire, interaction of fire and structure, explosion,
BLEVE and similar phenomenon of interest
• Application of steady-state and dynamic process simulation in assessing flare
network characteristics
• Use of statistical modeling such as implementing principal component analysis
for early event detection
• Application of CHAOS theory in assessing characteristics of a runaway reaction
Safety must always form the chief interest of all technical endeavors. Within the context
of process safety, emerging technologies involving smart materials have introduced
novel areas in process engineering. Inherently safer process technologies are best
developed when safety aspects are taken care of in the design phase, coupled with the
problem objective. In this symposium, the aim is to demonstrate the current state of the
art in implementation of multi-scale modeling techniques in the context of process safety
applications and how that can help us designing inherently safer and smarter processes.
Several researcher are currently working in this area, and this mini-symposium aims to
group these existing efforts under a common platform and discuss potential
implementation of multi-scale modeling methodologies to help refine existing
computational approaches used for safety analysis. Incorporating and implementing
these multi-scale modeling approaches, as appropriate for the problem, at the design
level of any new technology development will help us develop inherently safer processes.
Please submit your abstract at: 
The deadline for abstract submission is 1st May, 2015.

Arnab Chakrabarty, Ph.D.
VerdeEn Chemicals, Director, Process Technology
Volunteer Research Scientist, Texas A & M University
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