Date of Award
1-10-2011
Document Type
Thesis
Degree Name
Chemistry, MS
First Advisor
Hideya Koizumi
Committee Members
Ellis Benjamin; Hashim Ali
Call Number
LD 251 .A566t 2010 S57
Abstract
Instrumentation analysis such as mass spectrometry allows one to analyze size up to 100kD safely. Difficulty arises from kinetic energies carried by larger-size molecules. Currently our group is developing a high pressure device, and the plan requires a theory (mathematics and physics) to back it up and highly accurate simulations for visualization and interpretation of the theoretical results. Such simulation is computationally (time-wise) difficult because of immense number of collisions. In our first trial of larger-molecule simulation, we incorporate a concept of drag with slip correction factor, relaxation time, and fluid viscosity into a statistical trajectory model currently common used. Molecules of larger size are released into a non-uniform velocity field calculated according to fluid dynamics (with Navier-Stokes equations) to obtain the time development of fluid packets rich in the large molecules. Codes for flow calculations and graphic interpretations are developed with the budget-friendly software Mathematica (instead of Fluent)
Rights Management
This work is licensed under a Creative Commons Attribution 4.0 International License.
Recommended Citation
She, Yi, "Instrumentation Analysis for Large Molecules: A Theoretical Study and Simulations" (2011). Student Theses and Dissertations. 959.
https://arch.astate.edu/all-etd/959
