ORIGINAL RESEARCH article

Front. Phys., 09 May 2025

Sec. Chemical Physics and Physical Chemistry

Volume 13 - 2025 | https://doi.org/10.3389/fphy.2025.1538443

Analysis of expected value of connectivity indices of random 2T2 kink chains

Xuemin LingXuemin Ling1Asima Razzaque,
Asima Razzaque2,3*Maham KhalilMaham Khalil4Salma Kanwal
Salma Kanwal4*Saima Noor,Saima Noor2,3Robina Nazir,Robina Nazir2,3
  • 1General Education Department, Anhui Xinhua University, Hefei, China
  • 2Department of Basic Science, King Faisal University, Al Hofuf, Saudi Arabia
  • 3Department of Mathematics, College of Science, King Faisal University, Al Hofuf, Saudi Arabia
  • 4Department of Mathematics, Lahore College for Women University, Lahore, Pakistan

In this work, we calculated the product connectivity index of three structures for the T2-type twists and formulated expressions of expected values of the forgotten index, atom bond connectivity index, sum connectivity index, product connectivity index and geometric arithmetic index of these random structures in the (ή2) stage. In addition, we calculated the expected values numerically, graphically and analytically and found the topological indices that have the maximum and minimum value.

1 Introduction

A square-hexagonal system is connected geometric shape and a unique geometric arrangement formed by connecting equal sized squares and/or hexagons together. In this system, the lattice points form a repeating pattern that resembles a combination of squares and hexagons. In contrast, a square-hexagonal chain is a one-dimensional linear sequence where square and hexagonal units alternate or connect in a line, creating a chain-like arrangement. This configuration is useful in fields like combinatorics and polymer chemistry, where alternating shapes along a single axis influence the overall behavior and properties of the chain. Different square-hexagoal chains are formed depending on the way how polygons are concatenated.

A [1, 2] polyomino chain is a sequence of connected squares, where each square shares at least one side with the next in the sequence. A hexagonal chain is a one-dimensional, linear sequence of connected hexagonal units, where each hexagon is linked to the next in a chain-like formation. Unlike a full hexagonal lattice, which extends in two dimensions, a hexagonal chain progresses in a single direction, creating a structure that resembles a series of hexagonal “tiles” arranged side by side. In graph theory, a graph ψ is defined as an ordered pair ψ=(Vψ,Eψ), where Vψ (also called vertices or nodes) is a set elements that represent pints in a graph and Eψ (called edges or arcs) is a set of pairs of vertices. Each pair (u,v) represents a connection (edge) between two vertices u and v.

Topological indices are the quantitative values that represent the structural characteristic of a graph which are used to relate the structure with its physical and chemical properties. These indices are usually known as descriptors of graphical structures for precisely this reason. These are the conclusions reached by applying logic and mathematics to a symbolic representation of a graph in an usable number. Some topological descriptors which we have used in our paper are described below.

The [3] geometric-arithmetic index is defined as;

GAψ=uvEψ2du×dvdu+dv(1)

The sum-connectivity and product-connectivity indices are defined respectively as;

SCψ=uvEψ1du+dv(2)
PCψ=uvEψ1du×dv(3)

Different relations between these two indices are established in [4].

In article [5] the forgotten index is given as;

Fψ=uvEψdu3

or it can also be defined as;

Fψ=uvEψdu2+dv2(4)

The [6] atom bond connectivity index is defined as;

ABCψ=uvEψdu+dv2du×dv(5)

In mathematical chemistry the application of chemical graph theory to the study of complex structures, using different chemical invariants, has revolutionary effects. The total count of nodes or vertices in a graph is known as its order, represented by |Vψ|. Whereas the total count of edges between the nodes in a graph is called its size which is represented by |Eψ|. In a molecular graph atoms are represented by uVψ, while uivjE(ψ) represents the bonds connecting the corresponding atoms. The degree of a vertex, indicated by deg(u) or du, refers to the count of edges connected to that vertex. Further notations of graph are discussed in [7].

Phenylene chains are part of a broader class of conjugated organic polymers, formed by joining squares and hexagons alternatively. Raza et al. in [8] compared numerically as well as graphically, the random phenylene chains among the expected values of atom bond connectivity and geometric-arithmetic indices. Wei et al. [9] formulated the expected values of various topological indices for random phenylene chains using auxiliary graphical structures, with a particular focus on the Merrifield-Simmons index.

Several researchers [1012] have provided exact expressions and comparative analyses of topological indices for chemical graph structures, including random phenylene and polyphenyl chains. In [2], Sigarreta et al. computed the Sombor, Forgotten, Zagreb, Atom-Bond Connectivity, Randic, and Geometric-Arithmetic indices for polyomino chains, deriving precise expressions for their expected values and variances in random polyomino structures.

The first Zagreb connection index, a widely studied topological descriptor, has been extensively used to investigate the structural properties and chemical stability of molecular networks. Recent studies [14] have explored its expected value in random cyclooctatetraene chains, random polyphenyl chains, and random chain networks, providing valuable insights into the probabilistic behavior of these indices in complex molecular structures. This research contributes significantly to the understanding of topological indices in stochastic chemical graph theory, particularly in the context of polymers and organic chain networks. Distance-based graphical indices have proven highly effective in predicting the thermodynamic properties of benzenoid hydrocarbons [15], highlighting their practical applications in computational chemistry and materials science.

Similarly, eigenvalue-based graphical indices have demonstrated significant predictive capabilities in modeling and determining the thermodynamic properties of polycyclic aromatic hydrocarbons [16]. This method has been particularly useful in studying polyacenes, providing valuable insights into their structural and thermal behavior.

Furthermore, temperature-based topological indices have been utilized in structure-property modeling to predict the thermodynamic properties of benzenoid hydrocarbons [17], contributing to a deeper understanding of their thermal characteristics. Depending on the attachment of polygons and graphical representation, there are two types of square-hexagonal kinks, kinks of type T1 and T2. In type T1 hexagon occurs as a kink holding the criteria to have two adjacent vertices of degree two. While in type T2, a square is said to be a kink if contains a vertex of degree 2. Kinks of type T2 are divided into three types [1] based on the possibilities of connecting polygons (square and hexagon) at different places of a square. These three types, T12,T22 and T32, are shown in Figure 1

Figure 1
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Figure 1. Kinks of type T12,T22 and T32.

By considering ή being the kink, we have further discovered three types of kink chains of type T22, named as [18] T212, T222 and T232. Also computed Forgotten, atom-bond connectivity, Sum-connectivity and Product-connectivity indices of these chains and found out the maximizing and minimizing index using graphical representation. For the sake of generality, we expressed our results into odd and even numbered kink chains. In graph theory, the concept of expected value is not inherently a property of a graph, but it is often used in the context of random graphs or randomized processes on graphs.

In [19], we calculated 1st and 2nd Gourava, 1st and 2nd Revan, Redefind 1st and 2nd Zagreb and Hyper-Zagreb indices of these three structures of kink chains of type T22 and found out maximizing and minimizing index. In addition to that, we also got the expected valued values for these descriptors at (ή1)th stage and made comparison among them.

We are motivated to consider square and hexagonal kink chains in our work due to their superior mechanical and structural properties, which are highly relevant in material science and engineering applications due to their unique geometric and mechanical properties. They enhance stress distribution and energy absorption, making them ideal for impact-resistant materials in aerospace, automotive, and structural engineering. A comprehensive examination of these structural and topological characteristics offers valuable understanding of how kink chains impact material properties, forming a crucial foundation for bridging theoretical outcomes with practical engineering applications. This research establishes a basis for future studies to implement these insights in addressing specific engineering challenges, including the design and optimization of materials for advanced technological applications.

2 Methodology

In this study, we employed a comprehensive methodology to analyze the connectivity indices of random T2 kink chains. We began by graphically representing the kink structures as graphs, where vertices denote atoms and edges represent bonds. We calculated several topological indices including the Product Connectivity Index (PC), Sum Connectivity Index (SC), Atom Bond Connectivity Index (ABC), and Forgotten Index (F) using established mathematical definitions. The expected values of these indices were derived at various stages of the kink evolution, employing relationships from previous literature in mathematical chemistry. Numerical analysis were performed to identify the maximizing and minimizing values of these indices, complemented by graphical visualizations to portray their behavior throughout the kinking process. Finally, a comparative analysis with existing studies allowed us to validate our results and deepen our understanding of the structural implications of these connectivity indices in molecular networks.

3 Main results

In this article, we will expand our work and calculate PC index of three possible arrangements of kinks of type T22 and the expected value of PC, SC, F, ABC and GA indices of three random structures for the kink of type T22. We will numerically, graphically as well as analytically find out the maximizing and minimizing expectation at (ή2)th stage.

Let ή represents the kink. Tables 1, 2 represents the vertex and edge partitions of each kink chain accordingly [18].

Table 1
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Table 1. Edge partitions of T212, T222 and T232; nN.

Table 2
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Table 2. Vertex partitions of T12, T222 and T232.

Theorem 3.1. Let nN, then the product connectivity topological index of kink chain T2,2p is given as;

PCT2,2p=1.937278497ή+2.980171716ifp=11.950715223ή+2.966734989ifp=2;forή=2n11.935660172ή+2.98179004ifp=3
PCT2,2p=1.937278497ή+3ifp=11.950715223ή+2.973126546ifp=2;forή=2n1.935660172ή+3.00323665ifp=3

Proof. Let ή=2n1. Using the edge partition given in Table 1 and the definition of product connectivity topological index, we get

PCT2,21=412+2ή+116+2ή122+ή+1123+ή1214=1.937278497ή+2.980171716
PCT2,22=ή+7212+3ή+5216+3ή+12122+3ή+12123+ή1214=1.950715223ή+2.966734989
PCT2,23=ή+312+416+3ή1122+2123+3ή1214=1.935660172ή+2.98179004

Let ή=2n. Using the edge partition given in Table 1 and the definition of product connectivity topological index, we get

PCT2,21=612+2ή16+2ή122+ή123+ή214=1.937278497ή+3
PCT2,22=ή+10212+3ή+2216+3ή+22122+3ή22123+ή214=1.950715223ή+2.973126546
PCT2,23=ή+412+416+3ή2122+2123+3ή4214=1.935660172ή+3.00323665

Observe that there is no edge between two adjacent vertices of degree 2, only one edge between two adjacent vertices of degree 2, and two edges between two adjacent vertices of degree two in three random (the second and third arrangements are same) structures of kink of type T22 respectively, except at terminal polygons, so we have only three possible arrangements of type T22, holding the conditions to make kink at each step. The possible arrangement for ή=1 is same as shown in Figure 1b and for ή=2 is shown in Figure 2. For ή2, the possible arrangements for attaching terminal polygons are shown in Figure 3 in three different ways, resulting three types [18]T212, T222 and T232. Let γ́́ be the probability of attaching terminal polygons in the first or second kind of arrangement, then 12γ́́ be the probability of attaching the terminal polygon in the third type of arrangement.

Figure 2
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Figure 2. Kinks of type T12,T22and T32.

Figure 3
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Figure 3. Possible arrangements of kink chains of type 22.

Consider kink chain T22 with ή number of kinks and probability γ́́ is represented by (T2γ́́2)ή́. Now we compute expected values of product-connectivity, Forgotten, atom-bond connectivity, product-connectivity and sum-connectivity indices of possible square-hexagonal kink chains (T2γ́2)ή. Let |Eij|=βij denotes the number of edges for (T2γ́2)ή with end vertices of degree i and j accordingly. There are only β22, β23, β24, β34 and β44-type of edges in (T2γ́2)ή. From Equations 15, topological descriptors can be expressed as

FT2γ́2ή=8β22T2γ2ή+13β23T2γ2ή+20β24T2γ2ή+25β34T2γ2ή+32β44T2γ2ή(6)
GAT2γ2ή=β22T2γ2ή+265β23T2γ2ή+223β24T2γ2ή+437β34T2γ2ή+β44T2γ2ή(7)
SCT2γ2ή=12β22T2γ2ή+15β23T2γ2ή+16β24T2γ2ή+17β34T2γ2ή+122β44T2γ2ή(8)
ABCT2γ2ή=24β22T2γ2ή+36β23T2γ2ή+14β24T2γ2ή+512β34T2γ2ή+616β44T2γ2ή(9)
PCT2γ2ή=12β22T2γ2ή+16β23T2γ2ή+122β24T2γ2ή+123β34T2γ2ή+14β44T2γ2ή(10)

As (T2γ́2)ή is a possible kink chain, it proceeds that F(T2γ́2)ή, GA(T2γ́2)ή, SC(T2γ́2)ή, ABC(T2γ́2)ή and PC(T2γ́2)ή are possible variables. Let us denote by EήF=E[F(T2γ́2)ή], EήGA=E[GA(T2γ́2)ή], EήABC=E[ABC(T2γ́2)ή], EήSC=E[SC(T2γ́2)ή] and EήPC=E[PC(T2γ́2)ή] the expected values of these indices respectively.

To compute the expected values for above mentioned indices we will compute the change in edge partitions of (T2γ́2)ή for three possible constructions of kink chains as shown in Figure 3. It is to be noted that if ή is odd in possible arrangements (T212, T222 and T232) of kink chain then at (ή1)th step, even numbered kink chains are formed and at (ή2)th step, odd numbered kink chains are formed. Similarly, if ή is even in possible arrangements of kink chain then at (ή1)th step, odd numbered kink chains are obtained and at (ή2)th step, even numbered kink chains are obtained again. We will formulate our expressions at (ή2)th stage.

4 Results at (ή2)th stage

The three possible constructions at (ή2)th stage are as follows:

1.(T22)ή2(T212)ή
2.(T22)ή2(T222)ή
3.(T22)ή2(T232)ή

It is interested to note that change in edge partitions of (T2γ́2)k remains same for ή=2n1 and ή=2n when we take (ή2)th stage. Change in edge partitions of (T2γ́2)ή at (ή2)th stage for ή=2n1 and ή=2n is shown in Table 3

Table 3
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Table 3. Change in edge partitions of (T2γ́2)k at (ή2)th step for ή=2n1 and ή=2n; nn.

Theorem 4.1. For square-hexagonal kink chain T22 with ή number of kinks, we have

(a) For ή=2n1; nN

EήF=ή18γ́+116+18γ́+58

(b) For ή=2n; nN

EήF=ή18γ́+116+36γ́+30

Proof. Let ή2, then there are three possibilities. Using Table 3 and Equation 3, we get

1. If (T22)ή2(T212)ή, then

FT212ή=8β22T22ή2+13β23T22ή2+4+20β24T22ή2+4+25β34T22ή2+2+32β44T22ή2+1
=FT22ή2+214(11)

2. If (T22)ή2(T222)ή, then

FT222ή=8β22T22ή2+1+13β23T22ή2+3+20β24T22ή2+3+25β34T22ή2+3+32β44T22ή2+1
=FT22ή2+214(12)

3. If (T22)ή2(T232)ή, then

FT232ή=8β22T22ή2+2+13β23T22ή2+20β24T22ή2+6+25β34T22ή2+32β44T22ή2+3=FT22ή2+232(13)

Thus, we have

EήF=γ́FT212ή+γ́FT222ή+12γ́FT232ή

Using Equations 1113, we get the following relation

EήF=γ́FT22ή2+214+γ́FT22ή2+214+12γ́FT22ή2+232=FT22ή236γ́+232

Applying operator E on both sides and E(EήF)=EήF

EήF=Eή2F36γ́+232

Let ή=2n1

For n=1ή=1, E1=174, which is indeed true. Using recursive relation upto ή1 trerms

EήF=Eήή1F+ή1236γ́+232=174+ή118γ́+116=ή18γ́+116+18γ́+58

which completes the result.

Let ή=2n

For n=1ή=2, E2=262, which is indeed true. Using recursive relation upto ή2 terms

EήF=Eήή2F+ή2236γ́+232=262+ή218γ́+116=ή18γ́+116+36γ́+30

which completes the proof.

Theorem 4.2. For square-hexagonal kink chain T22 with ή number of kinks, we have

EήGA=ή0.04662133γ́+5.3284271250.04662133γ́+6.455861185

(b) For ή=2n; nN

EήGA=ή0.04662133γ́+5.3284271250.09324266γ́+6.01305214

Proof. Let ή2, then there are three possibilities. Using Table 3 and Equation 7, we get

1. If (T22)ή2(T212)ή, then

GAT212ή=β22T22ή2+265β23T22ή2+4+223β24T22ή2+4+437β34T22ή2+2+β44T22ή2+1
=GAT22ή2+10.66990639(14)

2. If (T22)ή2(T222)ή, then

GAT222ή=β22T22ή2+1+265β23T22ή2+3+223β24T22ή2+3+437β34T22ή2+3+β44T22ή2+1
=GAT22ή2+10.73704477(15)

3. If (T22)ή2(T232)ή, then

GAT232ή=β22T22ή2+2+265β23T22ή2+223β24T22ή2+6+437β34T22ή2+β44T22ή2+3
=GAT22ή2+10.65685425(16)

Thus, we have

EήGA=γ́GAT212ή+γ́GAT222ή+12γ́GAT232ή

Using Equations 1416, we get the following relation

EήGA=γ́GAT22ή2+10.66990639+γ́GAT22ή2+10.73704477+12γ́GAT22ή2+10.65685425
EήGA=GAT22ή2+0.09324266γ́+10.65685425

Applying operator E on both sides and E(EήGA)=EήGA

EήGA=Eή2GA+0.09324266γ́+10.65685425

Let ή=2n1

For n=1ή=1, E1=11.78428831, which is indeed true. Using recursive relation upto ή1 trerms

EήGA=Eήή1GA+ή120.09324266γ́+10.65685425=11.78428831+ή10.04662133γ́+5.328427125=ή0.04662133γ́+5.3284271250.04662133γ́+6.455861185

which completes the result.

Let ή=2n

For n=1ή=2, E2=16.66990639, which is indeed true. Using recursive relation upto ή2 terms

EήGA=Eήή2GA+ή220.09324266γ́+10.65685425=16.66990639+ή20.04662133γ́+5.328427125=ή0.04662133γ́+5.3284271250.09324266γ́+6.01305214

which completes the proof.

Theorem 4.3. For square-hexagonal kink chain T22 with ή number of kinks, we have

EήSC=ή0.032431259γ́+2.2550749580.032431259γ́+3.106204951

(b) For ή=2n; nN

EήSC=ή0.032431259γ́+2.2550749580.064862518γ́+3.021179965

Proof. Let ή2, then there are three possibilities. Using Table 3 and Equation 8, we get

1. If (T22)ή2(T212)ή, then

SCT212ή=12β22T22ή2+15β23T22ή2+4+16β24T22ή2+4+17β34T22ή2+2+122β44T22ή2+1
=SCT22ή2+4.53132988(17)

2. If (T22)ή2(T222)ή, then

SCT222ή=12β22T22ή2+1+15β23T22ή2+3+16β24T22ή2+3+17β34T22ή2+3+122β44T22ή2+1
=SCT22ή2+4.553832468(18)

3. If (T22)ή2(T232)ή, then

=12β22T22ή2+2+15β23T22ή2+16β24T22ή2+6+17β34T22ή2+122β44T22ή2+3
SCT232ή=SCT22ή2+4.510149915(19)

Thus, we have

EήSC=γ́SCT212ή+γ́SCT222ή+12γ́SCT232ή

Using Equations 1719, we get the following relation

EήSC=γ́SCT22ή2+4.53132988+γ́SCT22ή2+4.553832468+12γ́SCT22ή2+4.510149915
EήSC=SCT22ή2+0.064862518γ́+4.510149915

Applying operator E on both sides and E(EήSC)=EήSC

EήSC=Eή2SC+0.064862518γ́+4.510149915

Let ή=2n1; nN

For n=1ή=1, E1=5.361279909, which is indeed true. Using recursive relation upto ή1 trerms

EήSC=Eήή1SC+ή120.064862518γ́+4.510149915=5.361279909+ή10.032431259γ́+2.255074958=ή0.032431259γ́+2.2550749580.032431259γ́+3.106204951

which completes the result.

Let =́2n; nN

For n=1ή=2, E2=7.53132988, which is indeed true. Using recursive relation upto ή2 terms

EήSC=Eήή2SC+ή220.064862518γ́+4.510149915=7.53132988+ή20.032431259γ́+2.255074958=ή0.032431259γ́+2.2550749580.064862518γ́+3.021179965

which completes the proof.

Theorem 4.4. For square-hexagonal kink chain T22 with ή number of kinks, we have

(a) For ή=2n1; nN

EήABC=0.014694163γ́+1.333193054ή0.014694163γ́+2.108399043

(b) For ή=2n; nN

EήABC=0.014694163γ́+1.333193054ή0.029388326γ́+2.135405879

Proof. Let ή2, then there are three possibilities. Using Table 3 and Equation 9, we get1. If (T22)ή2(T212)ή, then

ABCT212ή=24β22T22ή2+36β23T22ή2+4+14β24T22ή2+4+512β34T22ή2+2+616β44T22ή2+1=ABCT22ή2+2.680471644(20)

2. If (T22)ή2(T222)ή, then

ABCT222ή=24β22T22ή2+1+36β23T22ή2+3+14β24T22ή2+3+512β34T22ή2+3+616β44T22ή2+1=ABCT22ή2+2.681688898(21)

3. If (T22)ή2(T232)ή, then

ABCT232ή=24β22T22ή2+2+36β23T22ή2+14β24T22ή2+6+512β34T22ή2+616β44T22ή2+3
ABCT232ή=ABCT22ή2+2.666386108(22)

Thus, we have

EήABC=γ́ABCT212ή+γ́ABCT222ή+12γ́ABCT232ή

Using Equations 2022, we get the following relation

EήABC=γ́ABCT22ή2+2.680471644+γ́ABCT22ή2+2.681688898+12γ́ABCT22ή2+2.666386108
EήABC=ABCT22ή2+0.029388326γ́+2.666386108

Applying operator E on both sides and E(EήABC)=EήABC

EήABC=Eή2ABC+0.029388326γ́+2.666386108

For ή=2n1 For n=1ή=1, E1=3.441592097, which is indeed true. Using recursive relation upto ή1 trerms

EήABC=Eήή1ABC+ή120.029388326γ́+2.666386108=3.441592097+ή10.014694163γ́+1.333193054=0.014694163γ́+1.333193054ή0.014694163γ́+2.108399043

which completes the result.

For ή=2n For n=1ή=2, E2=4.801791987, which is indeed true. Using recursive relation upto ή2 terms

EήABC=Eήή2ABC+ή220.029388326γ́+2.666386108=4.801791987+ή20.014694163γ́+1.333193054=0.014694163γ́+1.333193054ή0.029388326γ́+2.135405879

which completes the proof.

Theorem 4.5. For square-hexagonal kink chain T22 with ή number of kinks, we have

(a) For ή=2n1; nN

EήPC=0.016673376γ́+1.935660172ή0.016673376γ́+2.98179004

(b) For ή=2n; nN

EήPC=0.016673376γ́+1.935660172ή0.033346752γ́+3.003236649

Proof. Let ή2, then there are three possibilities. Using Table 3 and Equation 10, we get

1. If (T22)ή2(T212)ή, then

PCT212ή=12β22T22ή2+16β23T22ή2+4+122β24T22ή2+4+123β34T22ή2+2+14β44T22ή2+1
=PCT22ή2+3.874556993(23)

2. If (T22)ή2(T222)ή, then

PCT222ή=12β22T22n2+1+16β23T22n2+3+122β24T22n2+3+123β34T22n2+3+14β44T22n2+1=PCT22ή2+3.901430447(24)

3. If (T22)ή2(T232)ή, then

PCT232ή=12β22T22ή2+2+16β23T22ή2+122β24T22ή2+6+123β34T22ή2+14β44T22ή2+3
PCT232ή=PCT22ή2+3.871320344(25)

Thus, we have

EήPC=γ́PCT212ή+γ́PCT222ή+12γ́PCT232ή

Using Equations 2325, we get the following relation

EήPC=γ́PCT22ή2+3.874556993+γ́PCT22ή2+3.901430447+12γ́PCT22ή2+3.871320344
EήPC=PCT22ή2+0.033346752γ́+3.871320344

Applying operator E on both sides and E(EήPC)=EήPC

EήPC=Eή2PC+0.033346752γ́+3.871320344

For ή=2n1 For n=1ή=1, E1=4.917450212, which is indeed true. Using recursive relation upto ή1 trerms

EήPC=Eήή1PC+ή120.033346752γ́+3.871320344=4.917450212+ή10.016673376γ́+1.935660172=0.016673376γ́+1.935660172ή0.016673376γ́+2.98179004

which completes the result.

For ή=2n For n=1ή=2, E2=6.874556993, which is indeed true. Using recursive relation upto ή2 terms

EήPC=Eήή2PC+ή220.033346752γ́+3.871320344=6.874556993+ή20.016673376γ́+1.935660172=0.016673376γ́+1.935660172ή0.033346752γ́+3.003236649

which completes the proof.

From Figure 3 it is easy to that three possible kink chains can be obtained from (T2γ́2)ή by taking the value of γ́=13.

Corollary 1. If ή=2n1; nN then at (ή2)th stage

F=110(ή2)+284

GA=5.343967568(ή2)+17.12825588

SC=2.265885378(ή2)+7.627165287

ABC=1.338091108(ή2)+4.779683205

PC=1.941217964(ή2)+6.858668176

Corollary 2. If ή=2n; nN then at (ή2)th stage

F=110(ή2)+262

GA=5.343967568(ή2)+16.66990639

SC=2.265885378(ή2)+7.531329882

ABC=1.338091108(ή2)+4.801791986

PC=1.941217964(ή2)+6.874556993

4.1 Analytical comparison at (ή2)th stage

In this section we analytically prove that forgotten index attains the greatest expected values at (ή2)th stage, for any value of γ́ and ή and for ή=2n1 and ή=2n, while atom-bond connectivity attains minimum expectations.

Corollary 3. For ή=2n1 and ή=2n; nN, we have

EFT2γ́2ή>EGAT2γ́2ή

Proof. For ή=2n1

EFT2γ́2ήEGAT2γ́2ή=ή18γ́+116+18γ́+58ή0.04662133γ́+5.3284271250.04662133γ́+6.455861185=18.04662133γ́1ή+110.6715729ή+51.54413881>0

which holds for γ́=13 and for all ήN, so we have

EFT2γ́2ή>EGAT2γ́2ή

For ή=2n

EFT2γ́2ήEGAT2γ́2ή=ή18γ́+116+36γ́+30ή0.04662133γ́+5.3284271250.09324266γ́+6.01305214=18.04662133γ́2ή+110.6715783ή+23.98694786>0

which holds for γ́=13 and for all ήN, so we have

EFT2γ́2ή>EGAT2γ́2ή

Corollary 4. For ή=2n1 and ή=2n; ήN, we have

EGAT2γ́2ή>ESCT2γ́2ή

Proof. For ή=2n1

EGAT2γ́2ήESCT2γ́2ή=ή0.04662133γ́+5.3284271250.04662133γ́+6.455861185ή0.032431259γ́+2.2550749580.032431259γ́+3.106204951=0.014190071γ́ή1+3.073352167ή+3.349656234>0

which holds for γ́=13 and for all ήN, so we have

EGAT2γ́2ή>ESCT2γ́2ή

For ή=2n

EGAT2γ́2ήESCT2γ́2ή=ή0.04662133γ́+5.3284271250.09324266γ́+6.01305214ή0.032431259γ́+2.2550749580.064862518γ́+3.021179965=0.014190071γ́ή2+3.073352167ή+2.991872175)>0

which holds for γ́=13 and for all ήN, so we have

EGAT2γ́2ή>ESCT2γ́2ή

Corollary 5. For ή=2n1 and ή=2n; ήN, we have

ESCT2γ́2ή>EPCT2γ́2ή

Proof. For ή=2n1

ESCT2γ́2ήEPCT2γ́2ή=ή0.032431259γ́+2.2550749580.032431259γ́+3.1062049510.016673376γ́+1.935660172ή0.016673376γ́+2.98179004=0.015757883γ́ή1+0.319414786ή+0.124414911)>0

which holds for γ́=13 and for all ήN, so we have

ESCT2γ́2ή>EPCT2γ́2ή

For ή=2n

ESCT2γ́2ήEPCT2γ́2ή=ή0.032431259γ́+2.2550749580.064862518γ́+3.0211799650.016673376γ́+1.935660172ή0.033346752γ́+3.003236649=0.015757883γ́ή2+0.319414786ή+0.017943316>0

which holds for γ́=13 and for all ήN, so we have

ESCT2γ́2ή>EPCT2γ́2ή

Corollary 6. For ή=2n1 and ή=2n; ήN, we have

EPCT2γ́2ή>EABCT2γ́2ή

Proof. For ή=2n1

EPCT2γ́2ήEABCT2γ́2ή=ή0.016673376γ́+1.9356601720.016673376γ́+2.981790040.014694163γ́+1.333193054ή0.014694163γ́+2.108399043=0.001979213γ́ή1+0.602467118ή+0.873390997>0

which holds for γ́=13 and for all ήN, so we have

EPCT2γ́2ή>EABCT2γ́2ή

For ή=2n

EPCT2γ́2ήEABCT2γ́2ή=0.016673376γ́+1.935660172ή0.033346752γ́+3.0032366490.014694163γ́+1.333193054ή0.029388326γ́+2.135405879=0.001979213γ́ή2+0.602467118ή+0.86783077>0

which holds for γ́=13 and for all ήN, so we have

EPCT2γ́2ή>EABCT2γ́2ή

The above corollaries implies that;

Corollary 7.

EFT2γ́2ή>EGAT2γ́2ή>ESCT2γ́2ή>EPCT2γ́2ή>EABCT2γ́2ή

From these analytical expressions, we conclude that that the expected value of Forgotten index for γ́=13 is greatest among all other computed topological indices at (ή2)th stage.

4.2 Graphical comparison of expected values of topological indices at (ή2)th stage

The numerical values as well as graphical representation in Figures 47 meet with the results of analytical comparison. So, we conclude that the expected value of F index reaches maximum value for both odd and even numbered kinked chains at (ή2)th stage. And the expected value of ABC index for both odd and even numbered kinked chains attains minimum value at (ή2)th stage, and for γ́=13.

Figure 4
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Figure 4. Expected values of PC, ABC and SC at (ή2)th stage for ή=2n1.

Figure 5
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Figure 5. Expected values of PC, ABC and SC at (ή2)th stage for ή=2n.

Figure 6
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Figure 6. Expected values of F and GA at (ή2)th stage for ή=2n1.

Figure 7
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Figure 7. Expected values of F and GA at (ή2)th stage for ή=2n.

5 Conclusion

In conclusion, at the (ή2)th stage, the expected value of a certain topological descriptor for three kink chains with ή=2n1 is equal to the average of the corresponding topological descriptor for ή=2n1, and similarly, the expected value of the topological descriptor for ή=2n equals the average for ή=2n. This establishes the validity of the results. The values of the topological descriptors R1, R2, HZ, ReZ2, GO1, and GO2 can be calculated using the theorems proven above for γ́=13 at the (ή2)th stage. Furthermore, at this stage, for both ή=2n1 and ή=2n, the expected values of the descriptors ER1ή, ER2ή, EHZή, EReZ2ή, EGO1ή, and EGO2ή depend on both γ́ and the number of kinks ή. However, the expected value of ReZ1 depends solely on the number of kinks ή and is identical in both cases. Moreover, the expected values for the forgotten index attains maximum value, whereas those for the ABC index attains minimum value, for both the cases.

Data availability statement

The original contributions presented in the study are included in the article/supplementary material, further inquiries can be directed to the corresponding authors.

Author contributions

XL: Funding acquisition, Investigation, Formal analysis, Validation, Writing – review and editing. AR: Conceptualization, Formal Analysis, Investigation, Validation, Writing – review and editing. MK: Conceptualization, Formal Analysis, Investigation, Validation, Writing – original draft. SK: Conceptualization, Investigation, Methodology, Validation, Writing – review and editing. SN: Conceptualization, Investigation, Validation, Writing – review and editing. RN: Conceptualization, Investigation, Validation, Writing – review and editing.

Funding

The author(s) declare that financial support was received for the research and/or publication of this article. This work was supported by Deanship of Scientific Research, Vice Presidency for Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia [KFU251155] and Anhui Province quality Engineering” online and offline mixed and Social practice course” (2020xsxxkc222) Scientific Research Program of Colleges and Universities in Anhui Province (2022AH052889, 2024AH050616).

Conflict of interest

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

Generative AI statement

The authors declare that no Generative AI was used in the creation of this manuscript.

Publisher’s note

All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article, or claim that may be made by its manufacturer, is not guaranteed or endorsed by the publisher.

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Keywords: kink chains, connectivity indices, T2-type, expected values, random structures, 2022 mathematics subject classification: primary 05C12, 05C90

Citation: Ling X, Razzaque A, Khalil M, Kanwal S, Noor S and Nazir R (2025) Analysis of expected value of connectivity indices of random 2T2 kink chains. Front. Phys. 13:1538443. doi: 10.3389/fphy.2025.1538443

Received: 02 December 2024; Accepted: 18 March 2025;
Published: 09 May 2025.

Edited by:

Camillo La Mesa, Sapienza University of Rome, Italy

Reviewed by:

Francisco Welington Lima, Federal University of Piauí, Brazil
Sarfraz Ahmad, COMSATS University Islamabad, Pakistan

Copyright © 2025 Ling, Razzaque, Khalil, Kanwal, Noor and Nazir. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

*Correspondence: Asima Razzaque, YXJhenphcXVlQGtmdS5lZHUuc2E=; Salma Kanwal, c2FsbWEua2Fud2FsQGxjd3UuZWR1LnBr

Disclaimer: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article or claim that may be made by its manufacturer is not guaranteed or endorsed by the publisher.