• Bulletin of the Korean Chemical Society
• /
• v.24 no.9
• /
• pp.1345-1350
• /
• 2003

Principal component analysis based two-dimensional (PCA-2D) correlation analysis is applied to FTIR spectra of polystyrene/methyl ethyl ketone/toluene solution mixture during the solvent evaporation. Substantial amount of artificial noise were added to the experimental data to demonstrate the practical noise-suppressing benefit of PCA-2D technique. 2D correlation analysis of the reconstructed data matrix from PCA loading vectors and scores successfully extracted only the most important features of synchronicity and asynchronicity without interference from noise or insignificant minor components. 2D correlation spectra constructed with only one principal component yield strictly synchronous response with no discernible a asynchronous features, while those involving at least two or more principal components generated meaningful asynchronous 2D correlation spectra. Deliberate manipulation of the rank of the reconstructed data matrix, by choosing the appropriate number and type of PCs, yields potentially more refined 2D correlation spectra.

• Journal of the Optical Society of Korea
• /
• v.18 no.5
• /
• pp.558-563
• /
• 2014

Sum-frequency generation spectra of a Langmuir monolayer on water surface at varying surface areas were studied with two-dimensional correlation analysis. Upon enlarging the area/molecule of the Langmuir monolayer, the sum-frequency spectra changed reflecting the conformation change of the alkyl chains of the molecules in the monolayer. These changes stood out more clearly by employing two-dimensional correlation analysis of the above sum-frequency spectra. Features not very pronounced in the original spectra such as closely-spaced spectral bands can also be easily distinguished in the two-dimensional correlation spectra.

• Bulletin of the Korean Chemical Society
• /
• v.22 no.8
• /
• pp.807-815
• /
• 2001

Two-dimensional (2D) correlation method, which generates the synchronous and the asynchronous 2D spectrum by complex cross correlation of the Fourier transformed spectra, is an analysis method for the changes of the sample spectrum induced by vari ous perturbations. In the present work, the 2D electronic correlation spectra have been simulated for the cases where the sample spectrum composed of two gaussian bands changes linearly. When only the band amplitudes of the sample spectrum change, the synchronous spectrum shows strong peaks at the band centers of the sample spectrum, but the asynchronous spectrum does not make peaks. When the sample spectrum shifts without changing intensity and width, the synchronous spectrum shows peaks around the initial and final positions of the band maximum and the asynchronous spectrum shows long peaks spanning the shifting range. The band width change produces the complex 2D correlation spectra. When the sample spectrum shifts with band broadening, the width change by 50% of full width at half maximum (FWHM) does not give so large an effect on the correlation spectrum as the spectral shift by one half of FWHM of the sample spectrum.

• Bulletin of the Korean Chemical Society
• /
• v.26 no.12
• /
• pp.2027-2032
• /
• 2005

This paper demonstrates details of thermal behavior of Langmuir-Blodgett (LB) film of poly(tert-butyl methacrylate) (PtBMA) by using the principal component analysis based two-dimensional correlation spectroscopy (PCA2D) through eigenvalue manipulating transformation (EMT). By uniformly lowering the power of a set of eigenvalues associated with the original data, the smaller eigenvalues becomes more prominent and the subtle contribution from minor components is now highlighted much more strongly than the original data. Thus, the subtle difference of thermal behavior of LB film of PtBMA from minor components, which is not readily detectable in the conventional 2D correlation analysis, is much more noticeable than the original data. PCA2D correlation spectra with EMT operation for the temperature-dependent IR spectra of LB film of PtBMA reveal the hidden property of phase transition processes during heating.

• Bulletin of the Korean Chemical Society
• /
• v.25 no.3
• /
• pp.426-428
• /
• 2004

• Proceedings of the KSME Conference
• /
• 2004.04a
• /
• pp.1755-1760
• /
• 2004

The holographic velocimetry system has a significant potential for the measurements of three dimensional velocities of particles. In this study, orthogonal two-side holography system was developed to obtain three dimensional velocities and sizes of spray droplets. To get high quality of reconstructed images, singe-exposure holography at two time moments and two orthogonal sides was adopted instead of multi-exposure, single-side holography. From three dimensional positions of droplets determined by reconstruction and image processing system, the three dimensional velocities and sizes of each droplet was extracted using the PTV algorithm. To determine the position of particles in the optical axis, a new focusing parameter was introduced based on the correlation between two droplet images at the same distance. The measured results by holography system were compared with those by the PDPA.

• Nuclear Engineering and Technology
• /
• v.54 no.4
• /
• pp.1495-1507
• /
• 2022

The improvement of thermal-hydraulic analysis techniques is essential to ensure the safety and reliability of nuclear power plants. The one-dimensional two-fluid model has been adopted in state-of-the-art thermal-hydraulic system codes. Current constitutive equations used in the system codes reach a mature level. Some exceptions are the partition method of wall friction in the momentum equation of the two-fluid model and the interfacial drag force model for a horizontal two-phase flow. This study is focused on deriving the partition method of wall friction in the momentum equation of the two-fluid model and modeling the interfacial drag force model for a horizontal bubbly flow. The one-dimensional momentum equation in the two-fluid model is derived from the local momentum equation. The derived one-dimensional momentum equation demonstrates that total wall friction should be apportioned to gas and liquid phases based on the phasic volume fraction, which is the same as that used in the SPACE code. The constitutive equations for the interfacial drag force are also identified. Based on the assessments, the Rassame-Hibiki correlation, Hibiki-Ishii correlation, Ishii-Zuber correlation, and Rassame-Hibiki correlation are recommended for computing the distribution parameter, interfacial area concentration, drag coefficient, and relative velocity covariance of a horizontal bubbly flow, respectively.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.10
• /
• pp.3391-3396
• /
• 2012

Two-dimensional infrared (2D-IR) spectroscopy can probe the fast structural evolution of molecules under thermal equilibrium. Vibrational frequency fluctuation caused by structural evolution produced the time-dependent line shape change in 2D-IR spectrum. A variety of methods has been used to connect the evolution of 2D-IR spectrum with Frequency-Frequency Correlation Function (FFCF), which connects the experimental observables to a molecular level description. Here, a new method to extract FFCF from 2D-IR spectra is described. The experimental observable is the time-dependent frequency shift of maximum peak position in the slice spectrum of 2D-IR, which is taken along the excitation frequency axis. The direct relation between the 2D-IR peak shift and FFCF is proved analytically. Observing the 2D-IR peak shift does not need the full 2D-IR spectrum which covers 0-1 and 1-2 bands. Thus data collection time to determine FFCF can be reduced significantly, which helps the detection of transient species.

• Communications for Statistical Applications and Methods
• /
• v.3 no.1
• /
• pp.11-19
• /
• 1996

Canonical correlation analysis is a multivariate technique for identifying and quantifying the statistical relationship between two sets of variables. Like most multivariate techniques, the main objective of canonical correlation analysis is to reduce the dimensionality of the dataset. It would be particularly useful if high dimensional data can be represented in a low dimensional space. In this study, we will construct statistical graphs for paired sets of multivariate data. Specifically, plots of the observations as well as the variables are proposed. We discuss the geometric interpretation and goodness-of-fit of the proposed plots. We also provide a numerical example.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.3
• /
• pp.357-362
• /
• 2003

The pathway producing imide ring closure during the thermal imidization of poly(amic acid) (PAA) was investigated in detail using a new analytical method, two-dimensional (2D) Raman correlation spectroscopy. The signs of the cross peaks in synchronous spectra provided evidence of the thermal imidization of PAA into PI as the heating temperature increased. The signs of the cross peaks in asynchronous spectra suggested that the imide-related modes changed prior to the amide or carboxylic mode, which indicates that cyclization occurred before the amide proton was abstracted.