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Although this type of multiphase system widely emerges in industries and our surroundings. such as formation of nano/microscale aerosol particle and its subsequent growth in quiescent or evolving flows. and reproduction in any medium. and diesel particulate formation [9]. are discussed. provided the original work is properly cited.0). population balance equation 1. and reproduction in any medium. some key issues including the conversion from gas to particle and the subsequent particle growth affected by the surroundings remain unresolved [10]. contamination control in the microelectronics and pharmaceuticals industries [8]. The suitable theoretical method for resolving aerosol dynamical processes is widely known as population balance modeling (PBM).5772/65565 Abstract The study on aerosol dynamics processes.Provisional chapter2 Chapter Methods Methods of of Moments Moments for for Resolving Resolving Aerosol Aerosol Dynamics Dynamics Mingzhou Yu and Liu Yueyan Mingzhou Yu and Liu Yueyan Additional information is available at the end of the chapter Additional information is available at the end of the chapter http://dx. provided the original work is properly cited. method of moments.0). Unlike some common © 2016 The Author(s).org/licenses/by/3. The dynamics characteristics of size of these particles spans from free molecular size regime much less than Kolmogorov length scale to inertial range. distribution. distribution. which permits unrestricted use. Introduction Aerosol particles usually refer to fine particles in air whose size is smaller than micrometer [1]. has received much attention from both chemical engineering and atmospheric environment communities. In this chapter. even though the aerosol flow convection transport is not involved. which permits unrestricted use. This chapter is distributed under the terms of the Creative Commons © 2016 The Author(s). This chapter is distributed under the terms of the Creative Commons Attribution License (http://creativecommons. Due to Brownian motion. Keywords: aerosol dynamics. and quadrature method of moments. Three main methods of moments. Licensee InTech. Licensee InTech. the development of the method of moments for solving the PBE is presented.doi. aerosol sciences and air pollution [4–7].org/10. The study on the solution of the PBE has undergone rapid development in last several decades. which is based on solving the popula‐ tion balance equation (PBE) in terms of particle number concentration. log‐normal method of moments. . including the Taylor series expansion method of moments.org/licenses/by/3. 3]. This type of particles can be found in a wide range of industrial and natural phenomena such as nanoparticle synthesis [2. aerosol varies greatly in the degree of stability. Attribution License (http://creativecommons.

including homogeneous or heterogeneous nucleation. The Stokes’ law needs to be modified as applied in this field because aerosol particles are usually smaller than molecular mean free path [1]. Some common methodologies in multiphase flow community. and breakage. the closure of governing equations in terms of kth moment is not easy to achieve. within the Smoluchowski mean-field theory. the predefined size distributed method such as log‐normal MOM (log MM) [44. behavior. and breakage [11].32 Aerosols . and MOM with interpolative closure (MOMIC) [23]. the study on interaction between fine particles and the surrounding becomes more and more important. namely the Taylor series expansion MOM (TEMOM) [43]. pth‐order polynomial MOM [49]. 45] and Gamma MOM [46]. the mean-field theory has been introduced in aerosol collision problems and has been basis for numerous theoretical appli‐ cations. In fact. coagulation. 48]. coagulation occurs most commonly. there have been five main techniques proposed to achieve the closure of moment equations. Gaussian quadrature MOM (QMOM) and its variants [47. condensation. stochastic particle method [31–35]. the solution of the governing equations within the Smoluchowski mean-field theory. some important phenomena such as self‐preserving distribution [15–17]. in the first decades of last century. With further requirements of modern industrial nanoparticle synthesis and atmospheric observation. but it is yet the most difficult to be treated from the viewpoint of mathematics. studies on dynamics of micro‐ and nanoscale particles are always the focus of physical science [12]. and Monte Carlo method [36–42]. such as Euler‐Lagrange and Euler‐Euler. The method of moments is more widely used than other methods due to that it requires the least requirement for computational cost as well as the relative simplicity of implementation [36]. the theory should cover from simple kinetics theory to continuum theory. it needs to combine the methodology in modern multiphase flow theory with aerosol dynamics to resolve complicated micro‐ and nanoscale particle multiphase problems [13]. because the correlation among all the particles must be concerned separately [14]. If the particle formation and subsequent growth are studied theoretically. The object of these studies is to capture the property. In recent years. These applications include the derivation of coagulation kernel under different mechanisms. are unsuitable to be used in this field. Among these internal mechanisms. Since the pioneering work of Smoluchowski in 1917.Science and Case Studies techniques used in the multiphase flow community. coagulation. condensation. Up to now. In fact. the PBM scheme. . and thus. the task of the study on aerosol dynamics is to grasp the interaction between the dispersed particles and the carrier phase and also to obtain the fundamentals of internal processes such as nucleation. and physical principle of aerosol particles in air and further apply this knowledge to their meas‐ urement and control. and the application of Smoluchowski mean-field theoretical model to predict the behavior of aerosol multiphase system. Besides convection and diffusion transport. and gelation or asymptotic behavior [18–21] have been thoroughly studied using state‐of‐the‐art technologies such as the method of moments (MOM) [17. 19–23]. Although the method of moments has become a powerful tool for investigating aerosol chemistry physical processes since it was first used in aerosol community by Hulburt and Katz [22]. sectional method (SM) [24–30]. the evolution of aerosol particle dynamics arises mainly from internal mechanisms.

Smoluchowski. in which three main techniques applied for solving the PBE. to adapt to the requirement of modern complicated particulate industries. uth is the thermophoresis velocity. first established the discrete governing equation for colloid coagulation. Thus. DB is the Brownian diffusion coefficient. consuming computational cost has to be concerned as the solution of Navier‐Stokes equations is involved. Although the QMOM and its variants are the most used scheme for solving the PBE today. Smoluchowski equation was further developed by Müller in its integraldifferential form. Equation (1) encompasses 33 . and time t. the review of the PBE as well as its solution is presented. where three predominated methods of moments. coagulation. Relative to the QMOM and log MM. log MM. it shows disadvantage in efficiency as compared to the TEMOM and log MM. has been increasingly received attention. making it suitable as basis equation for further analytical solution or asymptotic solution of the PBE. including external processes such as particle convection and diffusion transport in air. uj is the particle velocity. are briefly presented.t) is the particle number density for particle volume v. In order to accomplish it. namely the meth‐ od of moments. sectional method. which finally becomes the basis equation of the PBM [51].xi.doi. It is necessary to construct a new approach with respect to moment equation. which is easy to implement with low computational cost like the log MM and has not the prior requirement for particle size spectrum like the QMOM. the meth‐ od of moments is highlighted in Section 3. In particular. 2. can be expressed as: where n(v. then. and the log‐normal size distribution has to be employed in the construction of the model. the Smoluchowski equation has developed from its original version only accounting for coagula‐ tion to the present version accounting to almost all aerosol dynamics.org/10. a new promising method of moments based on Taylor series expansion technique has been proposed and successfully applied to resolve some aerosol engineering problems [43]. the TEMOM has advantage to give explicit moment governing equations. Smoluchowski equation [12]. Without loss of generality.5772/65565 which couples the PBE with the Computational Fluid Dynamics (CFD). This chapter is outlined as follows: In Section 2.Methods of Moments for Resolving Aerosol Dynamics http://dx. the efficiency of solving the PBE in the imple‐ mentation of the PBM is another important issue besides the accuracy of numerical calculation. there needs a suitable technique capable of providing explicit moment governing equations for further asymptotic analysis for the PBE [50]. and breakage [52. it is possible to simultaneously capture the details of the fluid flow and transport. For any techniques. the evolution of the particle size distribution and complex chemical kinetics. the general form of a PBE. and internal processes such as nucleation. J is the nucleation rate for the critical monomer volume v*. and Monte Carlo method. are presented separately. that is. and TEMOM. 53]. accounting for both external and internal processes. β is coagulation kernel between two particles. and a and b are parameters accounting for the breakage rate associated with the turbulence shear force. It needs to note here in the log MM. Gr is the particle surface growth rate. Methods for solving the PBE The study of PBE dates back to 1917 when famous polish scientist. and accordingly. Today. condensation. including the QMOM. which inevitably weakens its reliability and capability for solving the PBE. location x.

t ¶x j )) + ¶ ( (uth ) j n ( v. the direct numerical solution of Eq. t dv ' 2 * v ò( ÷ ø )( ¶v )( ( v . the task is to investigate the temporal and spatial evolution of nanoparticles under turbulent condi‐ tions. (1). xi . t ¶ ç DB ¶x j ç ¶x j è + 1 b v . t ) b v. and stochastic particle method. Due to the low require‐ ment for computational cost.v ' . the combination of method of moments and Computational Fluid Dynamics (CFD) technique has been an emerging research field. x j . the coordinate (i. xi . depending on the specific requirement of study. including the method of moments.e. and it should be further modified using suitable mathematical techniques. t n v ' . and coordinate number might be more.v ' . t ) ¶t + ( ( ¶ u j n v.n ( v.. t )) + J = æ ¶n v. several schemes by different researchers. which needs to be further treated with different techniques. In particular. v' n v .a ( v ) n ( v. Even only the particle volume is selected as coordinate of particle number concentration function. such as particle surface area or charge number.Science and Case Studies almost all physicochemical processes of aerosol with a size smaller than approximately 1 μm and therefore is reliable for studying aerosol dynamics. In the application of this method. sectional method. x j . v n v . xi . the fractal moment variables inevitably appear in the transfer from the PBE to moment governing equation. ¶n ( v. t )d ( v . ' ' v It needs to note here in Eq.34 Aerosols . x j . an inherent advantage is that it can be coupled with the Navier‐Stokes equation. xi . in the last decade.v ) * i ) * (1) v ¥ ò( )( ) ¥ ò( )( )( ) . t )) ¶x j ( ) ö÷ + ¶ ( Gr n ( v. the method of moments has been extensively used to solve the PBE. particle volume v) of particle number concentration function might be other quantity. Both advantages and disadvantages of these three methods have been compared in many review articles [36. and thus this method is unable . x . t dv + a v ' b v v ' n v ' . (1) is intractable for most applications due to the extreme large number of independent variables. Because of relative simplicity of implementation and low computational cost. t ) + ¼. To solve the Eq. t dv ' ' v* . In case the coagu‐ lation kernel is simplified with homogeneous assumption. 53]. have been proposed and evaluated. The information of particle size distribution is lost due to the integral in the transfer from the PBE to moment governing equations in the method of moments. The analytical method has been used to study nanoparticle dynamics in an experimental chamber [58]. the analytical solution of PBE can be achieved [54–57]. (1) numerically or analytically.

Closure of moment equations The key task of the method of moments for solving the PBE is to convert the PBE to moment governing equations. but the coupling between the Computational Fluid Dynamics (CFD) and Monte Carlo method is still limited.Methods of Moments for Resolving Aerosol Dynamics http://dx. In theory. all the mechanisms can be defined as a function of time from a macroscopic probability view. however. but also because there are much more specific mechanisms to concern.1. during the conversion some approximations have to be employed to achieve the closure of the moment governing equations. With the exception of convection and diffusion transport. some difficulties are from closure of unresolved moment. Except nucleation and condensa‐ tion mechanisms. while the mathematical description for agglomerate structures composed of noncoalescing spheres should be specially disposed [17.doi. 3. is limited because of low efficiency. turbulence is the driving force for particle radii of about 1–10 μm. which divides the PBE into a set of size classes.org/10. gas‐particle conversion. Typically. overcomes the limit of method of moments in tracing the PSD. they can be solved by some common 35 . Within the Smoluchowski mean-field theory. Once the closed moment governing equations were established. This is not only because there is nonintegral form in coagulation or breakage kernel. these small particles share energy with gas molecules and exhibit Brownian motion. all aerosol dynamics processes can be invoked into the particle general dynamic equation. The sectional method. while coagulation and breakage mechanisms account for particle number variance. This method has advantage to capture the evolution of particle size distribution physically and also can be used to obtain some key kernels for aerosol dynamics such as coagulation. which limits the application of moment methodology in this field. condensation. This method was usually used as an exact solution to validate the method of moments [60] and also widely applied in studies on the evolution of particle size distribution at engineering conditions due to the different dynamical processes including coagulation. The application of this method. the nucleation and conden‐ sation mechanisms account for the mass or energy transfer from gas vapors to particle system. Up to now. that is. while smaller particles are driven by Brownian motion and larger particles by differential sedimentation [61]. the PBE. 3. Method of moments The evolution of aerosol particle behavior arises from the interaction between particles and surrounding air. Here. An alternative to sectional method and method of moments for solving the PBE is stochastic particle method (or Monte Carlo method) [31–35]. 62]. 63–65].5772/65565 to trace the evolution of particle size distribution (PSD) if the reconstruct technique of PSD is not implemented [59]. The collision between interparticles is assumed to be instantaneous with spherical shape. there have been lots of versions of Monte Carlo methods for solving the PBE. coagulation receives much more attention by scientists than other dynamics processes such as nucleation and condensation because coagulation mechanism is harder to dispose in mathematics [14. etc.

k ) n ( v. and β(v. or PBE. and thereby. which has been basis for solving micro‐ and nanoparticle multiphase problems in modern aerosol or colloid science. the general disposition for this problem is to convert Eq. (4) 0 The key task of all methods of moments. (2) into an ordinary differential equation with respect to the moment mk. QMOM. v . the Gamma method of moments [66]. The conversion involves multiplying Eq. (3) to polynomials. If readers have interests to other methods of moments. k = ê v + v ' ë ) k ù . t dv ' . and the DQMOM [48]. t ) ¶t v = ò( )( ) )( ) )( ò( ¥ 1 b v . The integral form of Smoluchowski equation is: where n(v. and log MM. In this chapter. t dv ' .n ( v . (2) by vk and then integrating over the entire size distri‐ bution. This disposition was first proposed by Smoluchowski [12] for coagulation in dilute electrolytes. t ) n(v . MOMIC. t n v ' . t )dvdv '. In the past. 2 0 (2) 0 dmk 1 = dt 2 ( ¥¥ òòκ ( v. a definition for mk should be ¥ ò mk = v k n(v)dv. In this section.v k . In order to represent the evolution of particle number. we only focus on coagulation and present how these different methods of moments are implemented for resolving this issue. such as the fourth‐order Runge-Kutta method. log MM. ' ' (3) 00 ) ( é k v. û During the implementing conversion from the Smoluchowski equation. v '). the numerical calculation can proceed.v ' . it is necessary to define particle concentration as a function of time and particle volume. If the method of moments is used.Science and Case Studies numerical techniques. to the moment governing equation. t ) b v . and finally the converted moment equation based on the size distribution is obtained where ¶n ( v. v ' n v .v 'k ú b (v.36 Aerosols . v ' n v ' .t) dv is the number of particles whose volume is between v and v+dv at time t. is to convert the integral term on the right hand of Eq. v ' . some techniques have been proposed to implement the method of moments. including the TEMOM. and QMOM will be presented. only the TEMOM. .v') is the collision kernel for two particles of volumes v and v'.v ' . they are recom‐ mended to read articles for the MOMIC [23].

5772/65565 3. To implement the TEMOM. since then. 56. 57. The TEMOM has been applied in many aerosol‐related problems and has also successfully been used for the realistic environmental and engineering problems where multidynamics are involved [71.B2 ï dt 2 ï ïï í ï ï ï dm2 = . 68–70]. (5) in Eq. t dvdv ' çx +y v 1 2 p0 ç ÷ ø 00è dm1 =0 dt ¥¥ æ 1 ö f3 V ÷ n ( v. all of these quoted studies were only taken into consideration for three‐order Taylor series expansion using integer moment sequence. where ( ( ) 1 ö æ 1 b v. Both shortcomings indeed greatly weaken the capability of the TEMOM. we need to substitute Eq. it was further developed [60. On the basis of governing equations obtained from the TEMOM. a generalized TEMOM was currently proposed [60].f + v . researchers have found that it is easy to achieve analytical and asymptotic solutions of the PBE [19. v' = B2 ç f + ' f ÷ v f + v ' f v ø èv + B2y vp0 ì ï dm0 = . Taylor series expansion method of moments The TEMOM was first proposed in 2008 in its numerical version for dealing with coagulation due to the Brownian motion [43].2.Methods of Moments for Resolving Aerosol Dynamics http://dx.f + v -2 f v ' f + v f v '-2 f (6) 37 . The recent study shows that this kind of solution leads to shortcoming of the existing TEMOM.591. and we can obtain the following expression. Here. t dvdv ' çV +y v 2 p0 ç 1 ÷ ø 00è (5) ( ) òò ( ) òò x1 = 2 + v f v '.doi.org/10. 64. 67]. v ø ¥¥ æ 1 ö f3 x ÷ n ( v. To overcome the shortcoming of the TEMOM in this aspect. A = 1. ψ = λA/(3/4π)1/3. t ) n v ' . (3) and then multiply vk on both sides. t ) n v ' . we select coagulation in the continuum‐slip regime as an example to present how the TEMOM is implemented. that is. in which the accuracy of numerical calculation is increased with increasing the orders of Taylor series expansion.B2 = 2kbT/3μ. 20. However. f = 1/Df. 72]. and the fractional moment at an initial stage cannot be accurately captured. The coagulation kernel for agglomerates in the continuum‐slip is [64] where vp0 is the volume of primary particles.f + v '. the initial geometric standard deviation is limited.B2 ï dt 2 ïî f- 1 3æ 1 ç 2f èv ) 1 ö + '2 f ÷ (v f + v ' f ).f v ' f x 2 = v .

(7).2 f v '1+ f + 2v1. (8) is applied in Eq. æ k2 . Once the definition for k ‐th moment.B2 (V * + y v 1 2 p0 2 îï dt (7) x1* = 2m0 m0 + 2m f m. (4). It is obvious that Eq.3k ö mk = u0 k . (7) is not closed due to the appearance of some unexpected variables. the final closed moment governing equation can be obtained where .2 ç ÷ m2 + u0 k -1 .f x 2* = 2m.k ö æ 2 + k 2 .k 2 + 2k m1 + u0 k ç ÷ m0 . In the TEMOM.f m0 + 2m f m-2 f V1* = 4m1m1 + 4m1+ f m1.f . where 1 ì dm fï 0 = . mk.f v '1+ f V 2 = 2v1+ f v '1.f + 2v1. shown in Eq. such as m−f and mf.f m1 + 4m1+ f m1.38 Aerosols . we can obtain the following expression for moment governing equation. ç 2 ÷ ç ÷ 2 è ø è ø ( ) (8) As the function shown in Eq. such as third‐order Taylor series expansion function.2 f .f v '+ 2vv '1. is introduced.2 f + 2v1.B2 (x1* + y v p 0 3x 2* ) ï dt 2 ïï dm1 =0 í dt ï 1 ï f3V * ) ï dm2 = . approximated functions are used to replace these unex‐ pected variables.Science and Case Studies V1 = 4vv '+ 2v1+ f v '1.f V 2* = 4m1.

m2 2 m0 2 .4m2 m0 m12 y 3 = . and m2. that is. This newly developed version has some advantages as compared to old one. and thus. making the TEMOM has more solid foundation in mathematics relative to the log MM. The TEMOM was further developed to a much more general version.m14 + 2m2 m0 m12 y 2 = .B2 (h1 + y v p 0 3h2 ) ï dt 2 ïï dm1 =0 í dt ï 1 ï f3h ) ï dm2 = .B2 (h + y v 3 4 p0 ïî dt 2 . The new generalized TEMOM successfully overcomes the shortcomings of the old version whose 39 .y 3 f + y 2 f .m2 2 m0 2 . m1.m0 2+ f (y 4 f + y 3 f + y 2 f + y 1 f + y 0 ) 4 1 4+ f -5 f m1 + f m1 + 8m1 + f m2 m0 .doi. It is clear in the derivation that no any physical assumption for the particle size distribution is introduced.m0 ( -5 f m1 + f m1 + 8m1 + f m2 m0 . all the right terms are denoted by the first three moments m0.org/10.y 1 f + y 0 ) f h4 = 2 2m1 2 h3 = 3 4 3 2 m1 1 2+ f y 4 = 2m2 2 m0 2 + 2m14 . generalized TEMOM.2 f m2 m1 m0 + 6 f m2 m1 m0 .Methods of Moments for Resolving Aerosol Dynamics http://dx.2 f m2 m1 m0 + 6 f m2 m1 m0 .f m2 m0 ) 2 h1 = h2 = (9) 2 4 4 4 4 4 2 2 4 2 2 2 2 2 2 4 4m1 .f m2 m0 4 4 4 4 4 2 2 4 2 2 2 2 2 2 2 2m1 m0 (y 4 f .7 m14 + 8m2 m0 m12 y 1 = -2m14 + 2m2 m0 m12 y 0 = 4m14 Equation (9) is a system of first-order ordinary differential equations.5772/65565 1 ì dm fï 0 = . this system can be automatically closed.

the log MM also requires to first obtain the moment equations as shown in Eq. Thanks to works from scientists. such as WRF/ chem. This method achieves great success in that it has no any physical assumptions and has no requirement for the form of dynamics kernels. the task is to use its own closure function to achieve the closure of moment equations. in which the moment sequence is composed not only by integer moments but also by fractional moments. the closure function is obtained on basis of the log‐normal size distribution assumption. 48].4. and especially.3. In the generalized TEMOM. This work forms the basis of the computer code HAARM and aerosol dynamics model MAD [74]. In addition. Log-normal method of moments Unlike the TEMOM. the closure function shown in Eq. making it much more accurate function. and the latter finally became key part in some atmospheric forecast models. 3.40 Aerosols . higher‐order Taylor series expansion can be achieved for the closure function. (7). (7). 3. in which unresolved moments are involved. the closure of moment governing equations in the log MM is achieved by assuming the PSD to log‐normal size distributions. this method can deal with all relevant aerosol dynamics problems. it has been applied in computational fluid dynamics software. it can be further numerically solved together with Eq. (8) is changed. which has the following expression. including Lee [44. where æ9 ö mk = m0vg k exp ç k 2 ln 2 s ÷   è2 ø vg = ln 2 s = (10) m12 3/2 1/2 m0 m2 1 æ m0 m2 ö ln ç ÷. Similar to the TEMOM.Science and Case Studies geometric standard deviation must be less than a certain value. and Pratsinis [14]. 9 çè m12 ÷ø In theory. once the PBE was converted to forms such as Eq. Quadrature method of moments The QMOM and its variants such as DQMOM are regarded as the mostly used method of moments in the implementation of the PBM [47. the accuracy of numerical calculation for capturing fractional moments at an initial stage can be largely increased. Then. (10). 75]. Thus. Thus. the log MM becomes one of several main methods of moments today. Unlike the . This method was first investigated by Cohen and Vaughan whose work covers both Brownian and gravitational coagulation [73]. In this method. Fluent.

China 2 Key Laboratory of Aerosol Chemistry and Physics. This method has insensitive form of kernel β(vi. where vi is the ith quadrature point. the quadrature abscissas and weights are obtained from lower‐ order radial moment sequence by solving Eq. dmk 1 = dt 2 NQ NQ åå éêë( v + v ) i i =1 i =1 j k ( ) ù . such as the product-difference algorithm. the coupling between the PBM and the computational fluid dynamics is considered.doi. During the implementation. extremely complicated kernel can be used. The method requires two times of quadrature point number to attain expected moments. (8) and (10). It needs to note here that the number of abscissas and weights are dependent on NQ. (11).com 1 China Jiliang University.4. governing equations for moment m0.org/10.3 and 3. China 41 . This increases the computational cost in contrast to the log MM and TEMOM. especially. m1. such as Eqs. To implement the QMOM. which needs further closed by approximated closure functions. Xi’an. for example. The symmetric tridiagonal matrix is diagonalized to obtain the abscissas and weights. …. the weights and abscissas of the quadrature approximation need to be additionally obtained by suitable mathematical techniques.Methods of Moments for Resolving Aerosol Dynamics http://dx. However. Hangzhou. this method does not need to first convert the PBE to unresolved moment equations. this method can be regarded as the most ideal scheme for solving the PBE if the numerical efficiency is not considered. Same as discussed in Sections 3. coagulation in the continuum‐slip regime is selected as an example to present how the QMOM is implemented. m5 need to be simultaneously solved as NQ = 3.vi k . Therefore.5772/65565 log MM.2* and Liu Yueyan1 *Address all correspondence to: yumingzhou1738@yahoo. the closure problem of the PBE is solved with a quadrature approximation. More details about the implementation of the QMOM are recommended to see the original work of this method. the numerical efficiency is similar important to the accuracy for simulation. In fact. and thus. Author details Mingzhou Yu1. (3) needs to be disposed using Gaussian quadrature approximation as below. and ωi is the corresponding weight in the quadrature formula. vj). v j wi w j û (11) To implement the QMOM. Eq. Chinese Academy of Science. In this method.v j k ú b vi . the key task is to construct a symmetric tridiagonal matrix whose diagonal elements and off-diagonal elements are derived from the calculated moments.

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