M. A. Buldakov’s research while affiliated with Siberian Branch of the Russian Academy of Sciences and other places

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Publications (54)


Analyzing natural gas by spontaneous Raman scattering spectroscopy
  • Article
  • Full-text available

July 2013

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418 Reads

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48 Citations

Journal of Optical Technology

M. A. Buldakov

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V. A. Korolkov

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I. I. Matrosov

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[...]

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B. V. Korolev

The use of multipass optical systems as well as the compression of the gaseous test medium to increase the signal intensity of the spontaneous Raman scattering of light has been experimentally studied. A description of a prototype developed for a natural-gas analyzer based on spontaneous Raman scattering spectroscopy is presented. A technique is described for calculating the composition of natural gas from its spectrum. The results are compared with chromatographic-analysis data. (C) 2013 Optical Society of America.

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Fig. 1 Block diagram of the Raman gas analyzer prototype. 
TABLE 1 Percentage Content and Measurement Uncertainty for Different Components in Natural Gas, Obtained Using Raman Spectroscopy and Gas Chromatography 
Figure 3 of 3
Raman gas analyzer for determining the composition of natural gas

March 2013

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2,922 Reads

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30 Citations

Journal of Applied Spectroscopy

We describe a prototype of a Raman gas analyzer designed for measuring the composition of natural gas. Operation of the gas analyzer was tested on a real natural gas. We show that our Raman gas analyzer prototype can detect all molecular components of natural gas with concentration ≥ 0.01%. The results obtained agree with chromatographic analysis data.


Fig. 1. SRS gas analyzer of natural and technogenic gas media.
Raman gas-analyzer for analyzing environmental and technogenic gas media

July 2012

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259 Reads

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18 Citations

Atmospheric and Oceanic Optics

The improvement of the sensitivity of the Raman gas-analyzer using a multireflection optical system and gas media compression has been studied. It was shown that both methods have a high efficiency. However, when gas is compressed, one must take into account the variations in position and form of Q branches for molecular vibrational bands and the variations in their differential cross sections. Methods for further improving the Raman gas analyzer sensitivity are given.


Asymptotic model of exchange interactions for polarizability calculation of van der Waals complexes

August 2010

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33 Reads

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6 Citations

Journal of Computational Methods in Sciences and Engineering

The asymptotic model of exchange interactions for calculation of the polarizability of van der Waals complexes is discussed. The model is employed for description of the polarizability of interacting systems when their valence electron shells are weakly overlapped. The analytical expressions for the interaction polarizabilities that include induction, dispersion and exchange contributions have been obtained for X-Y and X-Y2_{2} complexes. The calculation of the interaction polarizabilities of the complexes He-He, Ar-Ar, Kr-Xe, Xe-Xe, and Ar-H2_{2} have been carried out.


Figure 1. Coordinate system used. The origin of coordinates is the united atom U situated in the charge centre of the molecule AB.
Figure 2. Dependence of the parameter | ˜ A S | ( = 0) on Z U .
Figure 3. Parameters | ˜ A S | ( = 0) versus Z U for atoms of each group of the periodic table. Dark boxes-atoms of group I, light boxes-atoms of group II, dark circles-atoms of group III, light diamonds-atoms of group IV, light circles-atoms of group V, dark triangles-atoms of group VI, dark diamonds-atoms of group VII, light triangles-atoms of group VIII, solid lines-results of calculation using equation (8).
Periodic law for the dipole moment functions of diatomic molecules at small internuclear distances

September 2009

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79 Reads

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4 Citations

In this work, it is shown that the value and sign of the asymptotic (at ) dipole moment functions of diatomic molecules being in the ground electronic state are related to the nucleus charge of their united atom. The regularities found in the behaviour of the dipole moment functions are specified by the periodic structure of their united atoms.


Figure 1. Dipole moment functions of the OH radical in the X 2 and A 2 + states. Solid lines, interpolation curve (this work); light boxes, ab initio calculation [23]; dark boxes, ab initio calculation [24]; dark circles, ab initio calculation (this work); dashed lines, semiempirical calculation [16].  
Figure 2. Dipole moment functions of the AlH molecule in the X 1 + and A 1 states. Solid lines, interpolation curve (this work); light boxes, ab initio calculation [25]; dark circles, ab initio calculation (this work).  
Figure 3. Dipole moment functions of the CO molecule in the X 1 + and A 1 states. Solid lines, interpolation curve (this work); light boxes, ab initio calculation [26]; dark boxes, ab initio calculation [27]; dark circles, ab initio calculation (this work); dashed lines, semiempirical calculation [16].  
Figure 4. Dipole moment function of the NO molecule in the X 2 state. Solid lines, interpolation curve (this work); dark boxes, ab initio calculation [32]; dark circles, ab initio calculation (this work); dashed lines, semiempirical calculation [16].
Figure 5. Dipole moment functions of the AlH (1), MgHe (2), NaLi (3), BeNe (4), BF (5) and CO (6) molecules in the 1 + ground states. Solid lines, interpolation curve (this work); light boxes, ab initio calculation [25]; light diamonds, ab initio calculation (this work); dark boxes, ab initio calculation [33]; light triangles, ab initio calculation (this work); dark triangles, ab initio calculation [34]; light circles, ab initio calculation [32]; dark circles, ab initio calculation (this work).
On some aspects of changing the sign of the dipole moment functions of diatomic molecules

May 2009

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560 Reads

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19 Citations

Ab initio calculations of asymptotic dipole moment functions of some diatomic molecules at R → 0 have been carried out. It was achieved that in a range of small internuclear separations, the dipole moment functions of the molecules CO, NO, BF and BeNe for ground electronic states have an additional change of the sign.


General regularities in the behavior of dipole moment functions of diatomic molecules at small internuclear separations

April 2009

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15 Reads

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1 Citation

Atmospheric and Oceanic Optics

Based on the united atom model and the LS-coupling approximation, dipole moment functions were calculated for some diatomic molecules at small internuclear separations R. Families of molecules belonging to united atoms Li(2 S), Na(2 S), B(1 P), Al(1 P), and O(1 D) were considered. It was shown that dipole moment functions at R → 0 satisfy the asymptotic dependence μ(R) =AR 3. The regularities in the behavior of the functions μ(R) were determined depending on the electronic state and nuclei charges of molecules. The obtained systematic features are in good agreement with the results calculated for molecules whose united atoms are in groups II, IV, V, VII, and VIII of the Periodic Table.


FIG. 1. Coordinate system used. U is the united-atom position.
FIG. 3. Dipole moment functions of the LiH, NaH, and KH molecules all values are in a.u.. Solid lines, ab initio calculation; dashed lines, calculation using asymptotic formula R = AR 3 , where the coefficients A for the LiH, NaH, and KH molecules are −5.73, −120, and −542 a.u., respectively.  
Regularities in the behavior of dipole moment functions of diatomic molecules at very small internuclear separations

September 2008

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419 Reads

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11 Citations

Physical review A, Atomic, molecular, and optical physics

A theoretical approach to calculating the dipole moment function of a diatomic molecule at very small internuclear separations has been suggested. The approach is based on the united-atom model and the LS-coupling approximation. Regularities in the behavior of the dipole moments as functions of the internuclear separation, electronic state, and nuclear charge of the molecule have been found. Within the approach, the dipole moment functions of some diatomic molecules, whose united atoms are in groups II, IV, V, VII, and VIII of periods 1–4 of the periodic table, were calculated.


Regularities in the behavior of dipole moment functions of diatomic molecules at very small internuclear separations

January 2008

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51 Reads

Physical review A: General physics

A theoretical approach to calculating the dipole moment function of a diatomic molecule at very small internuclear separations has been suggested. The approach is based on the united-atom model and the LS-coupling approximation. Regularities in the behavior of the dipole moments as functions of the internuclear separation, electronic state, and nuclear charge of the molecule have been found. Within the approach, the dipole moment functions of some diatomic molecules, whose united atoms are in groups II, IV, V, VII, and VIII of periods 1–4 of the periodic table, were calculated.


Dynamic Polarizability Functions of the Hydrogen Molecule

November 2007

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184 Reads

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1 Citation

Computing Letters

An analytical method to describe tensor components of the dynamic electronic polarizability αii(R,ω) of diatomic molecules as a function of internuclear distance R and the frequency ω of external electromagnetic field is proposed. The method is based on calculations of upper and lower bounds for αii(R,ω). The bounds are calculated using the known functions of static polarizability αii(R,0) of a molecule, the limited number of energy levels Em(R) of its excited electronic states, and the electric dipole transition moments (di)0m(R). The method has been applied to calculate the dynamic electronic polarizability of H2 molecule over wide ranges of R and ω values.


Citations (24)


... An extension of the multipolar approximation into the domain with a more perceivable presence of the exchange interactions appeared in the paper by Cherepanov, Buldakov and co-workers. [81][82][83] They determined the algorithm of a developing analytical model of the collisional dipole moments and polarizabilities whose applicability reached the intermolecular separations smaller than those typical of the validity regions of LRA. The functional dependencies derived there for Rg-Rg and H 2 -Ar structures show visible, yet rather qualitative, agreement with both the LRA and QC profiles; the same applies to the more complex systems of CH 4 -N 2 discussed by Buldakov et al. [84][85][86] Some basics of their approach lie in the roots of the extended model described in this study, where a procedure is considered that should be capable of combining the QC (midrange) description with the LRA approach into an overall homogeneous scheme of satisfactory accuracy. ...

Reference:

Modeling of interaction induced polarizability of H 2 -H, numerical analysis
POLARIZABILITY FUNCTIONS OF DIATOMIC MOLECULES AND THEIR DIMERS
  • Citing Chapter
  • July 2006

... Ðàñ÷åò ôóíêöèè äèïîëüíîãî ìîìåíòà ìîëåêóëû OH íà ìàëûõ ìåaeúÿäåðíûõ ðàññòîÿíèÿõ ïðîâåäåì ñ ïîìîùüþ ïðåäëîaeåííîãî íàìè ìåòîäà [16,17], îñíîâàííîãî íà ìîäåëè îáúåäèíåííîãî àòîìà [18,19].  ýòîì ñëó÷àå ôóíêöèÿ äèïîëüíîãî ìîìåíòà ìîëåêóëû ìîaeåò áûòü çàïèñàíà â âèäå ...

title>Theoretical investigation of dipole moment function of LiH molecule for small internuclear separations</title
  • Citing Conference Paper
  • February 2006

Proceedings of SPIE - The International Society for Optical Engineering

... In this work, the asymptotic method proposed in [47,48] has been used to include in the simple analytical form the exchange effect between interacting atoms (or molecules) for the polarizability calculations of binary complexes. Such description of the exchange effect is possible when a small overlap of electron shells occurs in interacting systems of a complex [49,50]. ...

Polarizability functions of heteronuclear diatomic molecules: Semiempirical approach
  • Citing Article
  • December 2006

Journal of Computational Methods in Sciences and Engineering

... However, some optical methods make it possible to overcome this obstacle, such as Raman spectroscopy [66][67][68]. This type of spectroscopy is also used for analysis of gas mixtures, e.g., analysis of natural gas [69][70][71], hydrocarbons [72], carbon dioxide [73], gases of fermentation (O2, N2, H2, CH4, and CO2) [74], and fire gases [75]. Therefore, the task of analysing gases in soil using Raman spectroscopy seems to be similar to problems of such detection in chemical engineering, food engineering, metallurgy, and other fields. ...

Analyzing natural gas by spontaneous Raman scattering spectroscopy

Journal of Optical Technology

... mechanism is the presence of exponential-like, usually semiempirical, factors included. 1,70,82,83,86,88 As a rule, these expressions contain several parameters that are derived from the first principles and/or others often obtained via fitting procedures of different sort. In that regard, the routine suggested in the works of Cherepanov et al. cited above is not an exception. ...

Asymptotic model of exchange interactions for polarizability calculation of van der Waals complexes
  • Citing Article
  • August 2010

Journal of Computational Methods in Sciences and Engineering

... Other amplification methods include the multi-pass optical cells [1][2][3][4] or hollow-core fiber [5][6][7][8]. However, compression of the analyzed medium to a higher pressure is the most effective and easy to implement signal amplification approach [9,10]. Neglecting the compressibility factor, compression of the sample at ambient pressure to a pressure of 5 MPa leads to a 50-fold amplification [11]. ...

Raman gas-analyzer for analyzing environmental and technogenic gas media

Atmospheric and Oceanic Optics

... The appearance of commercially available powerful small-sized lasers and highly sensitive photodetectors on the market facilitated a significant amplification in the signal intensity. One of the most promising application fields for Raman spectroscopy is the analysis of methane-bearing fuel gases [1][2][3][4][5][6][7][8][9][10][11] since a large number of different compounds can be measured simultaneously by this technique using a single non-tunable laser. According to recent studies [4,5,[12][13][14][15], Raman spectrometers have reached a limit of detection (LOD) below 100 ppm, which is close to the standards for gas chromatography [16]. ...

Raman gas analyzer for determining the composition of natural gas

Journal of Applied Spectroscopy

... The monotonic trend of the increase in the dipole moment reflects the more charge separation of charges with an internuclear distance, going from Li to K, which is indicative of their possible linear and nonlinear optical potential, similar to the work of Cherepanov and co-workers. 74 For investigation of the linear optical response, the mean static polarizabilities (α o ) of newly designed electrides and the excess electron complex are investigated as well. α o of M@C 6 O 6 Li 6 complexes is in the range of 503 to 608 au, which is very high as compared to that of the pure C 6 O 6 Li 6 (136 au). ...

A dipole-moment function of MeH molecules (Me = Li, Na, K))

Russian Physics Journal

... At long separations between atoms and molecules in the complex, the methods of classical electrodynamics considering the multipole induction and dispersion effects are effectively applied to describe the polarizability surface of interacting atom-molecular systems [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21]. However, when the interacting atoms (or molecules) approach each other up to a distance where overlap and exchange effects are significant, the classical methods are not effective and, at present, correct values of the polarizability are obtained only from ab initio calculations. ...

Polarizability of two interacting molecules N2 and O2
  • Citing Article
  • February 2003

Optics and Spectroscopy

... Semiempirical calculations are usually based on the empirical or theoretical information about polarizability functions for separate ranges of internuclear distances. So, for the range of small R the polarizability functions have been found in the work [28] using the united atom model. In a vicinity of equilibrium internuclear position the polarizability functions of diatomic molecules are generally given by Taylor series where expansion parameters (derivatives of the polarizability tensor) may be experimentally found from Raman scattering. ...

Polarizability of a diatomic molecule at small internuclear distances
  • Citing Article
  • January 1993

Optics and Spectroscopy