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Project Information

EAGER: MULTISCALE METHODOLOGY FOR CAPTURING AGGREGATION PHENOMENA IN SURFACTANT-BASED SYSTEMS

Agency:
NSF

National Science Foundation

Project Number:
1644052
Contact PI / Project Leader:
DUTT, MEENAKSHI
Awardee Organization:
RUTGERS THE ST UNIV OF NJ NEW BRUNSWICK

Description

Abstract Text:
PI: Dutt, Meenakshi Proposal Number: 1644052 The goal of this proposal is to find novel ways for the integration of computational codes that are each accurate at different length and time scales. This is the pathway to achieve a truly multiphysics and multiscale computational approach to engineering problems. It is also proposed to use this new approach for the fundamental investigation of the self-assembly of surfactants, a problem with applications in food products, personal hygiene products, foams, detergents, and fluids in the environment among others. The proposal seeks to address the development of a new multiscale computational method that interfaces a deterministic particle dynamics technique (Molecular Dynamics) to a continuum fluid dynamics method (lattice Boltzmann Method). The proposed research will yield a new mesoscopic computational method that can efficiently bridge molecular properties to the continuum scale, resolve dynamic molecular-solvent interfaces, and capture the hydrodynamics of the system. The implementation of the method within a community code such as LAMMPS will potentially catalyze the development of other computational methodologies to further advance the field of soft materials and complex fluids. The research outcome will change the way multiscale interfacial phenomena in surfactant-based systems are investigated, impacting nanotechnology, biotechnology and medicine. The proposed method will use an adaptive particle-fluid coupling scheme to probe and resolve dynamical processes underlying the formation of aggregates via the self-assembly of distinct surfactant species and their morphological properties. The project will encompass an education and outreach program aimed at increasing the participation and retention of junior scientists with the target of helping them attain their educational goals and enhance their career prospects.
Project Terms:
Address; base; Biotechnology; career; Code; Communities; Complex; Computing Methodologies; Coupling; Detergents; Development; Education and Outreach; Engineering; Environment; Food; Goals; Hygiene; Interfacial Phenomena; Investigation; Length; Liquid substance; Medicine; Methodology; Methods; Molecular; molecular dynamics; Nanotechnology; novel; novel strategies; Outcomes Research; outreach program; particle; Pathway interactions; Process; Property; Research; Scheme; Scientist; self assembly; Solvents; surfactant; System; Techniques; Time

Details

Contact PI / Project Leader Information:
Name:  DUTT, MEENAKSHI
Other PI Information:
Not Applicable
Awardee Organization:
Name:  RUTGERS THE ST UNIV OF NJ NEW BRUNSWICK
City:  PISCATAWAY    
Country:  UNITED STATES
Congressional District:
State Code:  NJ
District:  06
Other Information:
Fiscal Year: 2016
Award Notice Date: 28-Jun-2016
DUNS Number: 001912864
Project Start Date: 01-Sep-2016
Budget Start Date:
CFDA Code: 47.041
Project End Date: 31-Aug-2018
Budget End Date:
Agency: ?

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National Science Foundation
Project Funding Information for 2016:
Year Agency

Agency: The entity responsible for the administering of a research grant, project, or contract. This may represent a federal department, agency, or sub-agency (institute or center). Details on agencies in Federal RePORTER can be found in the FAQ page.

FY Total Cost
2016 NSF

National Science Foundation

$100,000

Results

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