2. Estimation of physicochemical properties of complex systems according to color characteristics

We have discovered new optical effects of the relationship between the physicochemical properties and color characteristics for very complex chemical systems [2–4]. In particular, the dependencies between the properties and color characteristics of multicomponent hydrocarbon systems are investigated. Dependencies between color coordinates (luminosity) and various physical and chemical characteristics of these substances are established. All results are confirmed by statistical data processing. The dependence of the properties on the CCs is linear (the law "color-properties"):

$$Z = B\_0 + B\_1 \cdot q \tag{1}$$

where X, Y, and Z are the tristimulus values for system CIE; Е(λ) is the spectral power distribution for the spectrum of emission source; x, y, and z are three colormatching functions CIEXYZ; and τ(λ) is the spectral function of transparent

where D is the optical density of solutions, c is the concentration, and L is the

near 0.002 g/l; similarly, as in this case, we got the result with minimal errors.

Eð Þ λ<sup>1</sup> xð Þ λ<sup>1</sup> Eð Þ λ<sup>2</sup> xð Þ λ<sup>2</sup> … Eð Þ λ<sup>i</sup> xð Þ λ<sup>i</sup> Eð Þ λ<sup>1</sup> yð Þ λ<sup>1</sup> Eð Þ λ<sup>2</sup> yð Þ λ<sup>2</sup> … Eð Þ λ<sup>i</sup> yð Þ λ<sup>i</sup> Eð Þ λ<sup>1</sup> zð Þ λ<sup>1</sup> Eð Þ λ<sup>2</sup> zð Þ λ<sup>2</sup> … Eð Þ λ<sup>i</sup> zð Þ λ<sup>i</sup>

The relations for X, Y, Z are presented in matrix form [12]:

For more hydrocarbon systems, the solutions were prepared with concentration

where ФXYZ is the column vector of color coordinates for objects of investigation in the system XYZ, ЕXYZ is the product matrix of spectral power distribution for standard source and three color-matching functions, and Т is the column vector for

The chromaticity coordinates were calculated on formulas in the system CIE (12).

X þ Y þ Z,

In Table 1 the defined CCs of multicomponent petrochemical systems are given [3, 4]. As it can be seen from the results of the calculations, CCs at the identical radiation source are close among themselves despite their different nature. Obviously, the reason of similarity of color properties is the similarity of the absorption

multicomponent petrochemical systems do not have color isomerism, i.e., their CCs

The coefficients B<sup>0</sup> and B<sup>1</sup> Eq. (1) have been calculated by the method of least squares. As the criterion of adequacy, the correlation coefficient R and the meansquare deviation have been taken. Some results of the calculations are given in Table 2. The received results show that for all the researched petrochemical

In many processes, it is necessary to take express control of the PCPs. Therefore, the dynamic form of Eq. (8) has been investigated in the author's very last investi-

<sup>y</sup> <sup>¼</sup> <sup>Y</sup>

τ λð Þ¼ <sup>10</sup>–<sup>с</sup> <sup>∗</sup> <sup>k</sup> ð Þ<sup>λ</sup> (3)

k ð Þ¼ λ D=cL (4)

1

0

BBBBBBB@

τ λð Þ<sup>1</sup> τ λð Þ<sup>2</sup> … τ λð Þ <sup>i</sup>�<sup>1</sup> τ λð Þ<sup>i</sup>

1

CCCCCCCA

<sup>X</sup> <sup>þ</sup> <sup>Y</sup> <sup>þ</sup> <sup>Z</sup> (7)

(5)

CCA

<sup>Ф</sup>XYZ <sup>¼</sup> <sup>Е</sup>XYZ <sup>∗</sup> <sup>Т</sup> (6)

<sup>z</sup> <sup>¼</sup> <sup>Z</sup>

ΔZk ¼ b � Δqk (8)

The transparent coefficient is defined on known relationships:

New Results in the Theory and Practical Application of Color

DOI: http://dx.doi.org/10.5772/intechopen.84832

coefficients in the visible region.

k (λ)—absorption coefficient.

thickness of absorption layer.

X Y Z 1

CA <sup>¼</sup>

coefficient of transparency.

<sup>x</sup> <sup>¼</sup> <sup>X</sup>

change depending on the radiation sources.

X þ Y þ Z,

spectra of the systems researched. Also the research has shown that

systems, there is correlation dependence PCP from CCs [2–4].

gation of more than 300 of multicomponent hydrocarbon systems:

where x, y, and z are chromaticity coordinates.

0

BB@

0

B@

11

where Z is one of the physical or chemical properties, q is the one of the color characteristics of the substance (e.g., color coordinates Xj, Yj, Zj in the XYZ system or Rj, Gj, Bj in the RGB system; or chromaticity coordinates xj, yj, zj in the XYZ system or trichromatic coordinates rj , gj , bj in the RGB system; j, standard light source A, B, C, or D), and B0, B<sup>1</sup> are the empirical constants dependent on the type of the source and the class of researched substances and dimensional properties.

Color coordinates of (X, Y, Z), coordinates of chromaticity (x, y, z), hue (λ), and luminosity (L) have been taken as color characteristics [11–13] . CCs of multicomponent hydrocarbonic systems have been determined by the technique of the International Committee on Illumination (Commission Internationale de l'Eclairage, CIE) [11] for four standard sources (illuminants) A, B, C, and D65. The technique, corrected for optically transparent [13] medium, has been used. Electron absorption spectra of multicomponent hydrocarbon systems have been determined in toluene solutions in the range of 380–780 nm with the use of automatic spectrophotometer.

The CCs were defined on the methods CIE [12, 13] in the revised version to optical transparent solutions via the transparent coefficients—τ(λ). The color properties were calculated from formulas (2)–(7):

$$X = \sum\_{\lambda \ge 0}^{780} E(\lambda)\tau(\lambda)\overline{x}(\lambda)\Delta\lambda$$

$$Y = \sum\_{\lambda \ge 0}^{780} E(\lambda)\tau(\lambda)\overline{y}(\lambda)\Delta\lambda \tag{2}$$

$$Z = \sum\_{\lambda \ge 0}^{780} E(\lambda)\tau(\lambda)\overline{x}(\lambda)\Delta\lambda$$

New Results in the Theory and Practical Application of Color DOI: http://dx.doi.org/10.5772/intechopen.84832

where X, Y, and Z are the tristimulus values for system CIE; Е(λ) is the spectral power distribution for the spectrum of emission source; x, y, and z are three colormatching functions CIEXYZ; and τ(λ) is the spectral function of transparent coefficients in the visible region.

The transparent coefficient is defined on known relationships:

$$\mathbf{r}\left(\lambda\right) = \mathbf{10^{-c\*k\ (\lambda)}}\tag{3}$$

k (λ)—absorption coefficient.

investigated. In addition, we have determined the averaged color characteristics of the electromagnetic spectrum for aqueous solutions of hemolyzed blood, plasma, and serum from 100 donors and 95 patients with different diagnoses and different severities of their conditions. From the averaged absorption spectra, we calculated the color characteristics of the hemolyzed blood, plasma, and serum from the donors and patients by the standard CIE procedure. The blood is considered as a single, indivisible light-absorbing system in studying complex biological specimens. We studied the relationship between the color characteristics of human blood in normal and pathological conditions [22–26]. Let us consider these aspects in more

2. Estimation of physicochemical properties of complex systems

We have discovered new optical effects of the relationship between the physicochemical properties and color characteristics for very complex chemical systems [2–4]. In particular, the dependencies between the properties and color characteristics of multicomponent hydrocarbon systems are investigated. Dependencies between color coordinates (luminosity) and various physical and chemical characteristics of these substances are established. All results are confirmed by statistical data processing. The dependence of the properties on the CCs is linear (the law

where Z is one of the physical or chemical properties, q is the one of the color characteristics of the substance (e.g., color coordinates Xj, Yj, Zj in the XYZ system or Rj, Gj, Bj in the RGB system; or chromaticity coordinates xj, yj, zj in the XYZ

source A, B, C, or D), and B0, B<sup>1</sup> are the empirical constants dependent on the type of the source and the class of researched substances and dimensional properties. Color coordinates of (X, Y, Z), coordinates of chromaticity (x, y, z), hue (λ), and

multicomponent hydrocarbonic systems have been determined by the technique of the International Committee on Illumination (Commission Internationale de l'Eclairage, CIE) [11] for four standard sources (illuminants) A, B, C, and D65. The technique, corrected for optically transparent [13] medium, has been used. Electron absorption spectra of multicomponent hydrocarbon systems have been determined in toluene solutions in the range of 380–780 nm with the use of automatic spectro-

The CCs were defined on the methods CIE [12, 13] in the revised version to optical transparent solutions via the transparent coefficients—τ(λ). The color prop-

Eð Þλ τ λð Þxð Þλ Δλ

Eð Þλ τ λð Þyð Þλ Δλ

Eð Þλ τ λð Þzð Þλ Δλ

, gj

luminosity (L) have been taken as color characteristics [11–13] . CCs of

X ¼ ∑ 780 380

Y ¼ ∑ 780 380

Z ¼ ∑ 780 380

Z ¼ B<sup>0</sup> þ B<sup>1</sup> � q (1)

, bj in the RGB system; j, standard light

(2)

according to color characteristics

detail.

Color Detection

"color-properties"):

photometer.

10

system or trichromatic coordinates rj

erties were calculated from formulas (2)–(7):

$$\mathbf{k}\ (\lambda) = \mathbf{D}/\mathbf{c}\mathbf{L}\tag{4}$$

where D is the optical density of solutions, c is the concentration, and L is the thickness of absorption layer.

For more hydrocarbon systems, the solutions were prepared with concentration near 0.002 g/l; similarly, as in this case, we got the result with minimal errors.

The relations for X, Y, Z are presented in matrix form [12]:

$$
\begin{pmatrix} X \\ Y \\ Z \end{pmatrix} = \begin{pmatrix} E(\lambda\_1)\overline{x}(\lambda\_1) & E(\lambda\_2)\overline{x}(\lambda\_2) & \dots & E(\lambda\_i)\overline{x}(\lambda\_i) \\ E(\lambda\_1)\overline{y}(\lambda\_1) & E(\lambda\_2)\overline{y}(\lambda\_2) & \dots & E(\lambda\_i)\overline{y}(\lambda\_i) \\ E(\lambda\_1)\overline{z}(\lambda\_1) & E(\lambda\_2)\overline{z}(\lambda\_2) & \dots & E(\lambda\_i)\overline{z}(\lambda\_i) \end{pmatrix} \begin{pmatrix} \tau(\lambda\_1) \\ \tau(\lambda\_2) \\ \dots \\ \tau(\lambda\_{i-1}) \\ \tau(\lambda\_i) \end{pmatrix} \tag{5}
$$

$$
\boldsymbol{\Phi}\_{XYZ} = \mathbf{E}\_{XYZ} \,^\* \mathbf{T} \tag{6}
$$

where ФXYZ is the column vector of color coordinates for objects of investigation in the system XYZ, ЕXYZ is the product matrix of spectral power distribution for standard source and three color-matching functions, and Т is the column vector for coefficient of transparency.

The chromaticity coordinates were calculated on formulas in the system CIE (12).

$$\infty = \frac{X}{X+Y+Z\_{\text{\textquotedblleft}}} \text{ y } = \frac{Y}{X+Y+Z\_{\text{\textquotedblleft}}} \text{ z } = \frac{Z}{X+Y+Z\_{\text{\textquotedblright}}} \tag{7}$$

where x, y, and z are chromaticity coordinates.

In Table 1 the defined CCs of multicomponent petrochemical systems are given [3, 4]. As it can be seen from the results of the calculations, CCs at the identical radiation source are close among themselves despite their different nature. Obviously, the reason of similarity of color properties is the similarity of the absorption spectra of the systems researched. Also the research has shown that multicomponent petrochemical systems do not have color isomerism, i.e., their CCs change depending on the radiation sources.

The coefficients B<sup>0</sup> and B<sup>1</sup> Eq. (1) have been calculated by the method of least squares. As the criterion of adequacy, the correlation coefficient R and the meansquare deviation have been taken. Some results of the calculations are given in Table 2. The received results show that for all the researched petrochemical systems, there is correlation dependence PCP from CCs [2–4].

In many processes, it is necessary to take express control of the PCPs. Therefore, the dynamic form of Eq. (8) has been investigated in the author's very last investigation of more than 300 of multicomponent hydrocarbon systems:

$$
\Delta Z\_k = b \cdot \Delta q\_k \tag{8}
$$


### Table 1.

Range of color characteristics of multicomponent hydrocarbon systems [3, 4].

where ΔZ is the change of the physicochemical property and Δq is the change of CCs. Eq. (8) means that a change of properties is proportional to the change of color for any colored substances.

The received results show that for all the researched petrochemical systems, there is correlation dependence PCP from CCs. The correlation coefficient R and the standard deviation were used as the criterion of adequacy. Some results of calculations are given in Table 2. Properties such as relative density (ρ); number-average molecular weight (M in Dalton); Conradson carbon residue (g in weight.%); activation energy for viscous flow (Ea in kJ/mol). The results show that for all studied petrochemical systems, there is a clear dependence of PCP on CCs [2–4]. These correlations allow the determination of PCP substances using CCs. Such dependencies are necessary for quality control of oil distillates and oil products. In addition, there is an opportunity for remote control methods of environmental pollution by oil and oil products.

3. Introduction of electronic phenomenological spectroscopy

\*ρ = relative density; M = number-average molecular weight, moles; g = Conradson carbon residue, wt.%;

and physical phenomena in the basis of EPS:

Ea = activation energy for viscous flow, kJ/mol.

systems XYZ and RGB [3–10].

Multicomponent hydrocarbon system

Petroleum residues

Bitumens and bituminous materials

Table 2.

13

PCP CC Coefficients of

New Results in the Theory and Practical Application of Color

DOI: http://dx.doi.org/10.5772/intechopen.84832

Eq. (1)

В<sup>0</sup> В<sup>1</sup>

Raw oils p yD 0.793 0.349 0.98 0.05 887.80

Correlation coefficient

gA 0.758 0.310 0.98 0.05 889.46 M XA 846.429 4.563 0.99 0.48 1931.49 RA 897.646 2.683 0.99 0.46 2084.20 g YB 17.063 0.150 0.96 3.23 453.22 RC 17.984 0.098 0.96 3.20 460.43 Еа YB 37.701 0.376 0.97 5.17 536.05 GA 37.463 0.140 0.97 5.16 536.51

р xC 0.757 0.462 0.99 0.27 577.35 rC 0.874 0.240 0.99 0.20 1019.05 M YB 877.611 6.183 0.95 4.50 146.34 rA 121.96 1157.340 0.96 4.31 161.29 g xD 34.205 106.697 0.98 6.80 341.48 rC 6.530 53.960 0.98 5.92 455.11 Еа xD 76.698 228.968 0.98 8.31 308.21 rB 22.755 110.594 0.98 7.53 378.34

р xD 0.612 0.676 0.98 0.26 260.20 rC 0.876 0.209 0.99 0.22 384.50 M XA 11.918 1308.245 0.99 1.61 797.32 RA 1341.792 6.249 0.99 1.47 958.95 g yA 570.815 255.283 0.98 3.62 252.80 gA 241.685 379.399 0.98 3.64 249.38 Еа YA 0.878 68.000 0.98 3.32 294.90 GA 64.355 0.341 0.98 3.36 287.60

Variation coefficient (%)

Fisher's ratio test for sample volume F

The method of electronic phenomenological spectroscopy (EPS) was first proposed by Mikhail Dolomatov [2, 3]. In recent years, this science direction has been intensively developed by the Dolomatov group at the Oil Technical State University and Bashkir State University (Ufa) in Russia. There are the following approaches

Coefficients of Eq. (10) for physicochemical property estimation of oils and petroleum residues in colorimetric

Unlike conventional spectroscopic methods, the EPS studies substances as a comprehensive quantum quasicontinuum without separating the spectrum of the substance into characteristic spectral bands by certain resonance frequencies or wavelengths of individual functional groups or components. The spectrum is

For example, it is possible to determine in a few minutes such properties of formation oils as molecular mass, viscosity, density, the index of thermal stability, the index of reactivity of fractions in coking, thermal cracking processes, etc.


New Results in the Theory and Practical Application of Color DOI: http://dx.doi.org/10.5772/intechopen.84832

\*ρ = relative density; M = number-average molecular weight, moles; g = Conradson carbon residue, wt.%; Ea = activation energy for viscous flow, kJ/mol.
