23 Inline and Online Process Analytical Technology with an Outlook …
581
This allows complete control of the mixing process.
Future concepts such as Industry 4.0, Industrial Internet of Things (IIoT) and
the China strategy “Made in China 2025” offer the opportunity not only to use
information and measurements at the molecular level at each local plant site, but also
to integrate this information for a holistic approach to the entire plant, which will
enable intelligent production (see also the chapter on future production systems).
Intelligent production will transform the oil refining and petrochemical sector
into a networked, information-driven environment [68]. Real-time measurement
systems and the networking of all components will allow the manufacturing company
to respond quickly to customer requirements and minimize energy and material
consumption, while improving sustainability, productivity, innovation, and economic
competitiveness.
An example of such a platform currently running at Sinopec Jiujiang Company in
China is described in detail in [68] and also addressed in the chapter future production
systems.
23.6.3 NIR Spectroscopy for the Petrochemical Industry
23.6.3.1 Composition of Crudes, Fuels, and Their Key Wavelengths
in the NIR for Monitoring and Control
Interpretation of the Fingerprint Spectra
The CH vibrations are mainly responsible for the NIR spectral signature of the petrochemical products. The C–H-fundamental stretching vibration in the mid-infrared
region of the (aliphatic) methyl group (CH 3 -) is around 2960 cm
−1 , the methylene
(CH 2 −) at around 2930 cm
−1 , methyne (CH−) at 2890 cm
−1 , and a hydrogen atom
attached to an aromatic hydrocarbon (ArCH) is around 3100 cm
−1 . The amount
of splitting and intensities between symmetric and asymmetric CH-bond stretching
indicate branching (isomerization) from the linear arrangements of the chemical
backbone [62, 69].
Figure 23.13 top shows the NIR-spectral fingerprint of a gasoline fuel of different
research octane numbers (RON) in the full NIR spectral range. The most significant
wavelength range is the combination band between 2100 and 2500 nm and is shown
in more detail in Fig. 23.13 bottom. Due to the complexity of the mixtures, often
model compounds are used to identify key wavelengths. An example are the spectral differences between aromatic hydrocarbons and aliphatic hydrocarbons or the
spectral differences between linear, cyclic, and isomeric aliphatic hydrocarbons as
overtones and the combination of the fundamental vibrations as shown and described
below. The differences are discussed in detail in the cited literature and shall not be
presented here [62, 69, 70]. Please also refer to the discussion in chapter sensitivity
about quantum mechanical cross sections of the vibrational overtones [33].
581
This allows complete control of the mixing process.
Future concepts such as Industry 4.0, Industrial Internet of Things (IIoT) and
the China strategy “Made in China 2025” offer the opportunity not only to use
information and measurements at the molecular level at each local plant site, but also
to integrate this information for a holistic approach to the entire plant, which will
enable intelligent production (see also the chapter on future production systems).
Intelligent production will transform the oil refining and petrochemical sector
into a networked, information-driven environment [68]. Real-time measurement
systems and the networking of all components will allow the manufacturing company
to respond quickly to customer requirements and minimize energy and material
consumption, while improving sustainability, productivity, innovation, and economic
competitiveness.
An example of such a platform currently running at Sinopec Jiujiang Company in
China is described in detail in [68] and also addressed in the chapter future production
systems.
23.6.3 NIR Spectroscopy for the Petrochemical Industry
23.6.3.1 Composition of Crudes, Fuels, and Their Key Wavelengths
in the NIR for Monitoring and Control
Interpretation of the Fingerprint Spectra
The CH vibrations are mainly responsible for the NIR spectral signature of the petrochemical products. The C–H-fundamental stretching vibration in the mid-infrared
region of the (aliphatic) methyl group (CH 3 -) is around 2960 cm
−1 , the methylene
(CH 2 −) at around 2930 cm
−1 , methyne (CH−) at 2890 cm
−1 , and a hydrogen atom
attached to an aromatic hydrocarbon (ArCH) is around 3100 cm
−1 . The amount
of splitting and intensities between symmetric and asymmetric CH-bond stretching
indicate branching (isomerization) from the linear arrangements of the chemical
backbone [62, 69].
Figure 23.13 top shows the NIR-spectral fingerprint of a gasoline fuel of different
research octane numbers (RON) in the full NIR spectral range. The most significant
wavelength range is the combination band between 2100 and 2500 nm and is shown
in more detail in Fig. 23.13 bottom. Due to the complexity of the mixtures, often
model compounds are used to identify key wavelengths. An example are the spectral differences between aromatic hydrocarbons and aliphatic hydrocarbons or the
spectral differences between linear, cyclic, and isomeric aliphatic hydrocarbons as
overtones and the combination of the fundamental vibrations as shown and described
below. The differences are discussed in detail in the cited literature and shall not be
presented here [62, 69, 70]. Please also refer to the discussion in chapter sensitivity
about quantum mechanical cross sections of the vibrational overtones [33].