Aa. Christy et al., EFFECT OF PARTICLE-SIZE ON DIFFUSE-REFLECTANCE INFRARED-SPECTRA OF POLYSTYRENE SPHERES, Vibrational spectroscopy, 5(2), 1993, pp. 233-244
Particle size and its distribution in powdered samples presents potent
ial problems for accurate measurement in diffuse reflectance infrared
Fourier transform spectrometry. Applications of the Kubelka-Munk theor
y to calculate the infrared spectrum from diffuse reflectance data ass
umes that the sample is a continuous medium. Particle size is not acco
unted for in the transformation. However, powdered samples of the same
concentrations but with different particle sizes give different diffu
se reflectance spectra. A qualitative interpretation of the effects of
particle size on the diffuse reflectance spectra was made by measurin
g different concentrations of mixtures of potassium bromide and polyst
yrene spheres with defined diameters. Principal component analysis was
used to show the differences in the intensities of absorption with pa
rticle size variation. Spectral similarity (or dissimilarity) of the p
olystyrene spheres as a function of diameter was easy to compare using
the score plots of the multivariate data. Additionally, the linearity
of the Kubelka-Munk function was tested for three different particle
sizes and concentrations. The Kubelka-Munk seems to be linear for lowe
r concentrations. Deviation from Kubelka-Munk function starts at an ea
rly stage for the smaller particles.