Physical chemistry studies of environmental pollutant transformations: MATLAB codes for morphological analysis of fractal soot aggregates

Project Title: Physical chemistry studies of environmental pollutant transformations: MATLAB codes for morphological analysis of fractal soot aggregates
Program:
CAREERS (323)

Project Image: https://support.access-ci.org/system/files/webform/project/103/4.png
Tags:
computational-chemistry (81), matlab (2), particle-physics (295), programming (5), scripting (243)

Status: Halted
Project Leader
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Project Leader:
Alexei Khalizov

Email: khalizov@njit.edu
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Project Personnel
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Mentor(s):
Galen Collier (420)

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Project Information
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Project Description:
The Khalizov group at New Jersey Institute of Technology studies chemical and physical processes that transform environmental pollutants, such as atmospheric mercury and aerosol nanoparticles (https://centers.njit.edu/krg/). Research activities involve experimentation and modeling, and the group has been providing opportunities for undergraduate and graduate projects not only in experimental, but also in computational fields. Available projects range from using existing software packages for building and testing models of various physical processes to the development and optimization of new algorithms and program codes.

THIS PROJECT: Develop MATLAB codes for analysis of electron microscopy images of fractal soot aggregates. Create numerical representations of fractal aggregates for use in morphological and optical calculations. Develop a model for fractal aggregate restructuring using the Discrete Element Method [Chen et al., 2018; Enekwizu et al., 2020].

References:

Chen, C., O. Y. Enekwizu, X. Fan, C. D. Dobrzanski, E. V. Ivanova, Y. Ma, G. Y. Gor, and A. F. Khalizov, Single Parameter for Predicting the Morphology of Atmospheric Black Carbon, Environ. Sci. Technol., 52(24), 14169-14179, 2018, 10.1021/acs.est.8b04201.

Enekwizu, O., D. Singh, and A. Khalizov, Absorption and scattering of light by soot aggregates with uniform and pendular ring coatings, J. Aerosol Sci., 147, 105583, 2020, https://doi.org/10.1016/j.jaerosci.2020.105583.

Project Information Subsection
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Project Deliverables:
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Student Research Computing Facilitator Profile:
- Grad or undergrad
- Interested in working with experimentalists at the junction of physical chemistry and aerosol science
- Experienced Linux or Unix user (working in a Windows environment is also fine)
- Comfortable working in a remote computing environment


Mentee Research Computing Profile:
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Student Facilitator Programming Skill Level: Some hands-on experience
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Project Institution: New Jersey Institute of Technology
Project Address:
University Heights
Newark, New Jersey. 07102

Anchor Institution: CR-Rutgers
Preferred Start Date: 11/01/2020
Start as soon as possible.: No
Project Urgency: Already behind3Start date is flexible
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Project Milestones:
- Milestone Title: Become familiar with scientific and engineering aspects of the project
- Milestone Title: Develop the codes and/or perform calculations
- Milestone Title: Validate the results against experimental measurements
- Milestone Title: Prepare conference abstracts and journal papers

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Planned Portal Contributions (if any):
TBD

Planned Publications (if any):
Project results will be published. Undergraduate and graduate students author and co-author publications.

What will the student learn?:
Working with scientists and engineers who are primarily experimentalists. Development of numerical models for physics, chemistry, and aerosol science research. 

What will the mentee learn?:
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What will the Cyberteam program learn from this project?:
Effort involved in recruiting and training junior-level research software engineers.

HPC resources needed to complete this project?:
This project may benefit from HPC resources

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Final Report
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