Muhammad Farman

Department of Mathematics and Statistics,

University of Lahore,
Lahore 54590, Pakistan
On Solutions of the Stiff
e-mail: farmanlink@gmail.com

Muhammad Aslam
Differential Equations
Key Laboratory of Syentheitc and Natural
in Chemistry Kinetics With

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Functional Molecule Chemistry of Ministry of
Education,
Department of Chemistry and Materials Science,
Northwest University,
Fractal-Fractional Derivatives
Xi’an 710127, China
In this paper, we consider the stiff systems of ordinary differential equations arising from
e-mail: muhammadaslam546@yahoo.com
chemistry kinetics. We develop the fractional order model for chemistry kinetics problems
by using the new fractal operator such as fractal fractional and Atangana-Toufik scheme.
Ali Akg€
ul Recently a deep concept of fractional differentiation with nonlocal and nonsingular ker-
Art and Science Faculty,
nel was introduced to extend the limitations of the conventional Riemann–Liouville and
Department of Mathematics,
Caputo fractional derivatives. Many scientific results are presented in the paper and also
Siirt University,
prove these results by effective numerical results. These concepts are very important to
Siirt 56100, Turkey
use for real-life problems like Brine tank cascade, Recycled Brine tank cascade, pond
e-mail: aliakgul00727@gmail.com
pollution, home heating, and biomass transfer problem. These results are very important
for solving the nonlinear model in chemistry kinetics which will be helpful to understand
Fahd Jarad the chemical reactions and their actual behavior; also the observation can be developed
Department of Mathematics, for future kinematic chemical reactions with the help of these results.
Çankaya University, [DOI: 10.1115/1.4054347]
Etimesgut, Ankara 06790, Turkey;
Department of Medical Research, Keywords: chemistry kinetics, fractal fractional derivative, Atangana-Toufik Scheme,
China Medical University Hospital, nonlocal and nonsingular kernel
China Medical University,
Taichung 406040, Taiwan
e-mail: fahd@cankaya.edu.tr

1 Introduction approach of the fractional operator have been employed for the
fractional blood alcohol model [28–30].
Some problems related to nonsingular kernel fractional deriva-
Chemical kinetics deals with chemistry experiments and inter-
tives, which include the trigonometric and exponential function,
prets them in terms of a mathematical model. The experiments are
show some related approaches for models of the epidemic [1–8].
done on chemical reactions with time. The models are differential
The proposed outbreak of this virus effectively catches the time-
equations for the rates at which reactants are consumed and prod-
line for the COVID-19 disease conceptual model [9–13]. The first
ucts are produced. The set of reactions specifies the path (or paths)
integral method (FIM) is useful for a system with a time-
that reactant molecules take to finally arrive at the product mole-
dependent coefficient to influence the different type solutions of
cules. All species in the reaction appear in at least one step and
the time-fractional Kaup-Boussinesq (fKB) [14]. The time-
the sum of the steps gives the overall reaction. They govern the
fractional biological population model (fBPM) and Cahn–Hilliard
rate of the reaction which leads directly to the mechanism of dif-
(fCH) equation are given in various types of functions which
ferential equations [31]. Many processes and phenomena in chem-
are obtained in Ref. [15]. Lie symmetry analysis for the
istry generally in sciences can be designated by first-order
time-fractional third-order evolution (TOE) equation with
differential equations. These equations are the most important and
Riemann–Liouville (RL) derivative is analyzed in Refs. [16,17].
most frequently used to describe natural laws. The following
Space-time fractional evolutions, time-fractional Cahm-Alllen
examples are discussed: the Bouguer–Lambert-Beer law in spec-
and Klein Gorden are studied in Refs. [18–20]. The solution of
troscopy, time constants of sensors, chemical reaction kinetics,
two fractional Boussinesq-like equations using conformable
radioactive decay, relaxation in nuclear magnetic resonance, and
derivatives is used in the direct algebraic method (EDAM)which
the RC constant of an electrode [32]. The induced kinetic differen-
is given in Refs. [21,22]. The time-fractional Kolmogorov-
tial equations of a reaction network endowed with mass action
Petrovskii-Piskunov (TFKPP) equation is analyzed utilizing the
type kinetics are a system of polynomial differential equations
Lie symmetry approach, Abrahams–Tsuneto reaction-diffusion
[33]. We review the basic ideas of fractional differential equations
system (ATRDS), and a new fractional model for Atangana–
and their applications in nonlinear biochemical reaction models.
Baleanu fractional derivative with Mittag-Leffler kernel are dis-
We apply this idea to a nonlinear model of enzyme inhibitor
cussed in Refs. [23–25]. The Lotka-Volterra nature, fractional
reactions [34].
model of allelopathic stimulatory phytoplankton species with
In this paper, stiff systems of fractional order ordinary differen-
Mittag-Leffler law are considered as fractional guava fruit model
tial equations are studied arising from chemistry kinetics. Solu-
which is discussed in Refs. [26,27]. Hilfer fractional operator,
tions are obtained by employing advanced numerical techniques
fractional Poisson equation in fractal media, and Liouville-Caputo
which provide reliable results. Simulations have been made to
check the actual behavior and accuracy of results for kinetics
Manuscript received May 23, 2021; final manuscript received April 6, 2022; chemical reactions which are useful in future analysis and under-
published online May 18, 2022. Assoc. Editor: Dumitru Baleanu. standing of chemical reactions.

Journal of Computational and Nonlinear Dynamics JULY 2022, Vol. 17 / 071007-1

C 2022 by ASME
Copyright V
 This chemical reaction is introduced by Robertson given in [35], we have
k1 k2 k3
A ! B; B þ B ! C þ B; B þ C ! A þ C

The problem has three equations where k1 ; k2 and k3 describe the rate constants and A; B; and C is the chemical species involved. By
using the mass action law, they get

y1 0 ¼ M1 y1 þ M3 y2 y3
y2 0 ¼ M1 y1  M2 y22  M3 y2 y3 (1)

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0
y3 ¼ M2 y22

In this system y1 ðtÞ; y2 ðtÞ, and y3 ðtÞ are the concentrations of the chemical species A; B; and C , respectively. The initial time t ¼ 0 can
be defined by ðy01 ; y02 ; y03 ÞT . Where M1 ¼ 0:04; M2 ¼ 3  107 ; and M3 ¼ 104 , and the initial concentrations were
y01 ¼ 1; y02 ¼ 0; and y03 ¼ 0.

2 Atangana-Toufik Scheme
We use the new numerical scheme [13] for nonlinear fractional differential equations with fractional derivatives with nonlocal and
nonsingular kernels for chemistry kinetics problems. We have
(
ABC
0 DyðtÞ ¼ f ðt; yðtÞÞ
(2)
yð0Þ ¼ y0

Then, we obtain
ðt
ð1  aÞ a a1
yðtÞ  yð0Þ ¼ f ðt; yðtÞÞ þ f ðs; yðsÞÞðt  sÞ ds (3)
ABCðaÞ CðaÞ  ABCðaÞ 0

At a point tnþ1 ; n ¼ 0; 1; 2; 3; …; we get

ð tnþ1
ð1  aÞ a
yðtnþ1 Þ  yð0Þ ¼ f ðtn ; yðtn ÞÞ þ f ðs; yðsÞÞðtnþ1  sÞa1 ds
ABCðaÞ CðaÞ  ABCðaÞ 0
X n ð tkþ1 (4)
ð1  aÞ a
¼ f ðtn ; yðtn ÞÞ þ f ðs; yðsÞÞðtnþ1  sÞa1 ds
ABCðaÞ CðaÞ  ABCðaÞ k¼0 tk

Within the interval ½tk ; tkþ1 ; the function f ðs; yðsÞÞ; using the two-step Lagrange polynomial interpolation, we reach
s  tk1 s  tk
Pk ðsÞ ¼ f ðtk ; yðtk ÞÞ  f ðtk1 ; yðtk1 ÞÞ
tk  tk1 tk  tk1
(5)
f ðtk ; yk Þ f ðtk1 ; yk1 Þ
ffi ðs  tk1 Þ  ðs  tk Þ
h h

By using (4), we get

ð1  aÞ
ynþ1 ¼ y0 þ f ðtn ; yðtn ÞÞ
ABCðaÞ
ð ð !
a Xn
f ðtk ; yk Þ tkþ1 f ðtk1 ; yk1 Þ tkþ1
a1
þ ðs  tk1 Þð nþ1
t  s Þ ds  ðs  tk Þðtnþ1  sÞa1 ds (6)
CðaÞ  ABCðaÞ k¼0 h tk h tk

For simplicity, we let

ð tkþ1
Aa;k;1 ¼ ðs  tk1 Þðtnþ1  sÞa1 ds (7)
tk

ð tkþ1
Aa;k;2 ¼ ðs  tk Þðtnþ1  sÞa1 ds (8)
tk

Thus integrating Eqs. (7) and (8) and replacing them in the Eq. (6) we obtain
n  a
ð1  aÞ a X h f ðtk ; yk Þ  a 
ynþ1 ¼ y0 þ f ðtn ; yðtn ÞÞ þ ðn þ 1  kÞa ðn  k þ 2 þ aÞ  ðn  kÞ ðn  k þ 2 þ 2aÞ
ABCðaÞ ABCðaÞ k¼0 Cða þ 2Þ
 
ha f ðtk1 ; yk1 Þ a
 ðn þ 1  kÞaþ1  ðn  kÞ ðn  k þ 1 þ aÞ (9)
Cða þ 2Þ

071007-2 / Vol. 17, JULY 2022 Transactions of the ASME

We obtain the following for system (1)
ðt
ð1  aÞ  a 
y1 ðtÞ  y1 ð0Þ ¼ M1 y1 ðtÞ þ M3 y2 ðtÞy3 ðtÞ þ M1 y1 ðsÞ þ M3 y2 ðsÞy3 ðsÞ ðt  sÞa1 ds
ABCðaÞ CðaÞ  ABCðaÞ 0
ðt 
ð1  aÞ  a
y2 ðtÞ  y2 ð0Þ ¼ M1 y1 ðtÞ  M2 y22 ðtÞ  M3 y2 ðtÞy3 ðtÞ þ M1 y1 ðsÞ  M2 y22 ðsÞ  M3 y2 ðsÞy3 ðsÞ ðt  sÞa1 ds
ABCðaÞ CðaÞ  ABCðaÞ 0
ðt 
ð1  aÞ  a a1
y3 ðtÞ  y3 ð0Þ ¼ M2 y22 ðtÞ þ M2 y22 ðsÞ ðt  sÞ ds
ABCðaÞ CðaÞ  ABCðaÞ 0

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(10)

ð1  aÞ  a X n
fM1 y1 k þ M3 y2 k y3 k g
y1 ðnþ1Þ ¼ y1 ð0Þ þ M1 y1 ðtn Þ þ M3 y2 ðtn Þy3 ðtn Þ þ
ABCðaÞ CðaÞ  ABCðaÞ k¼0 h
ð tkþ1 ð tkþ1 
a1 fM1 y1 k1 þ M3 y2 k1 y3 k1 g a1
 ðs  tk1 Þðtnþ1  sÞ ds   ðs  tk Þðtnþ1  sÞ ds (11)
tk h tk


ð1  aÞ  a Xn
M1 y1 k  M2 y22 k  M3 y2 k y3 k
y2 ðnþ1Þ ¼ y2 ð0Þ þ M1 y1 ðtn Þ  M2 y22 ðtn Þ  M3 y2 ðtn Þy3 ðtn Þ þ
ABCðaÞ CðaÞ  ABCðaÞ k¼0 h
ð tkþ1  2 ð tkþ1 
a1 M1 y1 k1  M2 y2 k  1  M3 y2 k1 y3 k1 a1
 ðs  tk1 Þðtnþ1  sÞ ds   ðs  tk Þðtnþ1  sÞ ds (12)
tk h tk

 ð tkþ1 
ð1  aÞ  a Xn
M2 y22 k M2 y22 k  1
a1
y3 ðnþ1Þ ¼ y3 ð 0 Þ þ M2 y22 ðtn Þ þ  ðs  tk1 Þðtnþ1  sÞ ds 
ABCðaÞ CðaÞ  ABCðaÞ k¼0 h tk h
ð tkþ1 
 ðs  tk Þðtnþ1  sÞa1 ds (13)
tk

Thus integrating Eqs. (7) and (8) and replacing them in equations of the system (12) we get
n  a
ð1  aÞ  a X h fM1 y1 k þ M3 y2 k y3 k g
y1 ðnþ1Þ ¼ y1 ð0Þ þ M1 y1 ðtn Þ þ M3 y2 ðtn Þy3 ðtn Þ þ
ABCðaÞ ABCðaÞ k¼0 Cða þ 2Þ
 a a ha fM1 y1 k1 þ M3 y2 k1 y3 k1 g
 ðn þ 1  kÞ ðn  k þ 2 þ aÞ  ðn  kÞ ðn  k þ 2 þ 2aÞ 
Cða þ 2Þ
n o
aþ1 a
 ðn þ 1  kÞ  ðn  kÞ ðn  k þ 1 þ aÞ

Similarly, we can write generalized form for y2 ðnþ1Þ ; y3 ðnþ1Þ :

3 Fractal-Fractional Order Derivative

DEFINITION 3.1: For a function gðtÞ 2 W21 ð0; 1Þ; b > a and a1 2 ð0; 1; we have
ðt
ABða1 Þ d a1
ABC a1
0 Dt gðtÞ ¼ gðsÞEa1  ðt  sÞa1 ds
1  a1 0 ds 1  a1

DEFINITION 3.2: Suppose that gðtÞ is continuous on an open interval ða; bÞ; then the fractal-fractional integral of gðtÞ of order a1 having
Mittag-Leffler type kernel presented as
ðt
FFM a1 ;a2 a1 a2 a2 ð1  a1 Þta2 1 gðtÞ
J 0;t ðgðtÞÞ ¼ sa2 1 gðsÞðt  sÞa1 ds þ
ABða1 ÞCða1 Þ 0 ABða1 Þ

We present the Robertson problem model (1) using fractal-fractional Atangana–Baleanu derivative. We consider

FF
Da0;t1 ;a2 y1 ¼  M1 y1 þ M3 y2 y3

FF q ;q
D0;t1 2 y2 ¼ M1 y1  M2 y22  M3 y2 y3 (14)

FF q ;q
D0;t1 2 y3 ¼ M2 y22

3.1 Numerical Procedure With Fractal-Fractional Operator. We present the numerical algorithm for the fractal-fractional Rob-
ertson problem model (14) We get

Journal of Computational and Nonlinear Dynamics JULY 2022, Vol. 17 / 071007-3

 ðt
ð1  a1 Þ a2 1  a1 a2  a 1
y1 ðtÞ  y1 ð0Þ ¼ a2 t M1 y1 ðtÞ þ M3 y2 ðtÞy3 ðtÞ þ sa2 1 M1 y1 ðsÞ þ M3 y2 ðsÞy3 ðsÞ ðt  sÞ 1 ds
Cða1 Þ Cða1 ÞCða1 Þ 0

ðt
ð1  a1 Þ a2 1  a1 a2 
y2 ðtÞ  y2 ð0Þ ¼ a2 t M1 y1 ðtÞ  M2 y22 ðtÞ  M3 y2 ðtÞy3 ðtÞ þ sa2 1 M1 y1 ðsÞ  M2 y22 ðsÞ  M3 y2 ðsÞy3 ðsÞ
Cða1 Þ Cða1 ÞCða1 Þ 0

ðt  sÞa1 1 ds
ðt

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ð1  a1 Þ a2 1  a1 a2 
y3 ðtÞ  y3 ð0Þ ¼ a2 t M2 y22 ðtÞ þ sa2 1 M2 y22 ðsÞ ðt  sÞa1 1 ds
Cða1 Þ Cða1 ÞCða1 Þ 0
(15)

Let
  
kðt;y1 ðtÞÞ ¼ a2 ta2 1 M1 y1 ðtÞ þ M3 y2 ðtÞy3 ðtÞ ; kðt;y2 ðtÞÞ ¼ a2 ta2 1 M1 y1 ðtÞ  M2 y22 ðtÞ  M3 y2 ðtÞy3 ðtÞ ; kðt;y3 ðtÞÞ ¼ a2 ta2 1 M2 y22 ðtÞ

Also, we have
X n ð tjþ1
ð1  a1 Þ a1
y1 ðtnþ1 Þ ¼ y1 ð0Þ þ kðtn ; y1 ðtn ÞÞ þ kðs; y1 ðsÞÞðtnþ1  sÞa1 1 ds
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj

X n ð tjþ1
ð1  a1 Þ a1
y2 ðtnþ1 Þ ¼ y2 ð0Þ þ kðtn ; y2 ðtn ÞÞ þ kðs; y2 ðsÞÞðtnþ1  sÞa1 1 ds (16)
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj

X n ð tjþ1
ð1  a1 Þ a1
y3 ðtnþ1 Þ ¼ y3 ð0Þ þ kðtn ; y3 ðtn ÞÞ þ kðs; y3 ðsÞÞðtnþ1  sÞa1 1 ds
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj

In general, approximating the function kðs; yðsÞÞ; using the Newton polynomial, we have

kðtn1 ; yðtn1 ÞÞ  kðtn2 ; yðtn2 ÞÞ

Pn ðsÞ ¼ kðtn2 ; yðtn2 ÞÞ þ ðs  tn2 Þ
Dt
kðtn ; yðtn ÞÞ  2kðtn1 ; yðtn1 ÞÞ þ kðtn2 ; yðtn2 ÞÞ
þ 2 ðs  tn2 Þðs  tn1 Þ (17)
2ðDtÞ

Using Eq. (16) into system (17) we have

(    
X ð tjþ1 j1 j2
 k tj2 ; y1
ð1  a1 Þ a1 n   k tj1 ; y1
y1nþ1 ¼ y10 þ kðtn ; y1 ðtn ÞÞ þ k tj2 ; y1 j2
þ ðs  tj2 Þ
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj Dt

      9
j j1 j2 =
k tj ; y1  2k tj1 ; y1 þ k tj2 ; y1
a 1
þ ðs  tj2 Þðs  tj1 Þ ðtnþ1  sÞ 1 ds
2ðDtÞ
2 ;

ð tjþ1      
nþ1 0 ð1  a1 Þ a1 X n
j2 k tj1 ; y2 j1  k tj2 ; y2 j2
y2 ¼ y2 þ kðtn ; y2 ðtn ÞÞ þ k tj2 ; y2 þ ðs  tj2 Þ
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj Dt

      9 (18)
j j1 j2 =
k tj ; y2  2k tj1 ; y2 þ k tj2 ; y2
a 1
þ ðs  tj2 Þðs  tj1 Þ ðtnþ1  sÞ 1 ds
2ðDtÞ
2 ;

(    
X n ð tjþ1   k tj1 ; y3j1  k tj2 ; y3j2
nþ1 0 ð1  a1 Þ a1 j2
y3 ¼ y3 þ kðtn ; y3 ðtn ÞÞ þ k tj2 ; y3 þ ðs  tj2 Þ
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj Dt

      9
j j1 j2 =
k tj ; y3  2k tj1 ; y3 þ k tj2 ; y3
a 1
þ ðs  tj2 Þðs  tj1 Þ ðtnþ1  sÞ 1 ds
2ðDtÞ
2 ;

we have

071007-4 / Vol. 17, JULY 2022 Transactions of the ASME

 X n   ð tjþ1
nþ1 0ð1  a1 Þ a1 j2 a1
y1 ¼ y1 þ kðtn ; y1 ðtn ÞÞ þ k tj2 ; y1 ðtnþ1  sÞa1 1 ds þ
Cða1 Þ Cða1 ÞCða1 Þ j¼2 tj C ð 1 ÞCða1 Þ
a
         
j1 j2 ð n k t ; y j  2k t j1 j2
Xn k t
j1 ; y1  k tj2 ; y1 tjþ1
a 1
X j 1 j1 ; y1 þ k t j2 ; y1
a 1
ðs  tj2 Þðtnþ1  sÞ 1 ds þ 2
j¼2
Dt tj Cða1 ÞCða1 Þ j¼2 2ðDtÞ
ð tjþ1 X n  
a 1 nþ1 0 ð1  a1 Þ a1 j2
ðs  tj2 Þðs  tj1 Þðtnþ1  sÞ 1 dsy2 ¼ y2 þ kðtn ;y2 ðtn ÞÞ þ k tj2 ;y2
Cða1 Þ Cða1 ÞCða1 Þ j¼2

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tj
   
ð tjþ1 X n k t j1
 k tj2 ; y2
j2 ð
a1 j1 ;y2 tjþ1
a1
ðtnþ1  sÞa1 1 ds þ a 1
ðs  tj2 Þðtnþ1  sÞ 1 ds þ
tj Cða1 ÞCða1 Þ j¼2 Dt tj Cða1 ÞCða1 Þ
     
n k t ; y j  2k t j1 j2 ð
X j 2 j1 ; y2 þ k tj2 ; y2 tjþ1
nþ1 0 ð1  a1 Þ
a 1
2 ðs  tj2 Þðs  tj1 Þðtnþ1  sÞ 1 dsy3 ¼ y3 þ kðtn ; y3 ðtn ÞÞ
j¼2 2ðDtÞ tj Cða1 Þ
   
X n   ð tjþ1 Xn k t ;y
j1
 k t ; y
j2 ð
tjþ1
a1 j2 a 1 j1 3 j2 3
þ k tj2 ; y3 ðtnþ1  sÞa1 1 ds þ a 1
ðs  tj2 Þðtnþ1  sÞ 1 ds
Cða1 ÞCða1 Þ j¼2 tj Cða1 ÞCða1 Þ j¼2 Dt tj
     
n k t ; y j  2k t j1 j2 ð
a1 X j 3 j1 ;y3 þ k tj2 ; y3 tjþ1
a 1
þ 2 ðs  tj2 Þðs  tj1 Þðtnþ1  sÞ 1 ds
Cða1 ÞCða1 Þ j¼2 2ðDtÞ tj

(19)

Now, calculating the integrals in system (19) we get

ð tjþ1
ðDtÞa1 
ðtnþ1  sÞa1 1 ds ¼ ðn  j þ 1Þa1  ðn  jÞa1
tj a1
ð tjþ1
ðDtÞa1 þ1 
ðs  tj2 Þðtnþ1  sÞ
a1 1
ds ¼ ðn  j þ 1Þa1 ðn  j þ 3 þ 2a1 Þ  ðn  j þ 1Þa1 ðn  j þ 3 þ 3a1 Þ
tj a1 ða1 þ 1Þ
ð tjþ1 h n o
ðDtÞa1 þ2 2
ðs  tj2 Þðs  tj1 Þðtnþ1  sÞ
a1 1
ds ¼ ðn  j þ 1Þa1 2ðn  jÞ2 þ ð3a1 þ 10Þðn  jÞ þ 2a1 þ 9a1 þ 12
tj a1 ða1 þ 1Þða1 þ 2Þ
n o
2
ðn  jÞa1 2ðn  jÞ2 þ ð5a1 þ 10Þðn  jÞ þ 6a1 þ 18a1 þ 12

a n o
nþ1 0 ð1  a1 Þ a2 1  a1 a2 ðDtÞ 1 X n
j2 j2 j2
y1 ¼ y1 þ a2 t M1 y1 ðtÞ þ M3 y2 ðtÞy3 ðtÞ þ ta2 1 M1 y1 þ M3 y2 y3 ðn  j þ 1Þa1
Cða1 Þ Cða1 ÞCða1 þ 1Þ j¼2
a n h n o n oi
a1 a2 ðDtÞ 1 X j1 j1 j1 j2 j2 j2
 ðn  jÞa1  þ ta2 1 M1 y1 þ M3 y2 y3  ta2 1 M1 y1 þ M3 y2 y3 ðn  j þ 1Þa1
Cða1 ÞCða1 þ 2Þ j¼2
a X n h n o
a1 a2 ðDtÞ 1 j j j
ðn  j þ 3 þ 2a1 Þ  ðn  j þ 1Þa1 ðn  j þ 3 þ 3a1 Þ þ ta2 1 M1 y1 þ M3 y2y3  2ta2 1
2Cða1 ÞCða1 þ 3Þ j¼2
n o n o h n o
j1 j1 j1 j2 j2 j2 2
M1 y1 þ M3 y2 y3 þ ta2 1 M1 y1 þ M3 y2 y3 ðn  j þ 1Þa1 2ðn  jÞ2 þ ð3a1 þ 10Þðn  jÞ þ 2a1 þ 9a1 þ 12
n o
2
 ðn  jÞa1 2ðn  jÞ2 þ ð5a1 þ 10Þðn  jÞ þ 6a1 þ 18a1 þ 12

(20)

Similarly, we can write for y2 nþ1 ; y3 nþ1 :

4 Results and Discussion

The mathematical analysis of the chemistry kinetics model with non-linear occurrence has been offered. Some convergence of theoretical results
with some numerical method is also given in Ref. [35]. Figures 1–3, shows the memory effect of the fractional-order technique for the Robertson
problem; also represents the results by using the proposed fractal order derivative on a stiff differential equation. The numerical value of the solu-
tion for the three components y1 , y2 , y3 of the Robertson problem at time t having better convergence result at fractional derivative. The concentra-
tion y1 and y2 of the chemical species start increasing by decreasing fractional values respectively while the concentration y3 of the chemical species
start decreasing by decreasing fractional values. We can get a better concentration of the components by using the fractional derivative which is

Journal of Computational and Nonlinear Dynamics JULY 2022, Vol. 17 / 071007-5

 very important for chemical problems to check the actual behavior of
the concentration of the chemical with the smallest changes in deriv-
ative concerning time. It is also very important for solutions of non-
linear problems which are commonly used by researchers and scien-
tists in kinetics chemistry.
5 Conclusion
In this paper, we consider the stiff systems of nonlinear ordi-
nary equations which are dependent on time t with given initial
conditions. The advanced techniques of the fractional operator

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have been implemented for initial value problems arising from
chemical reactions composed of large systems of stiff ordinary
differential equations. The arbitrary derivative of fractional order
has been taken with the Atangana-Toufik scheme and fractal frac-
tional derivative. Solutions have been obtained efficiently within a
limited time which shows the actual behavior of kinetic chemical
reactions. These concepts are very important to use for real-life
problems like Brine tank cascade, Recycled Brine tank cascade,
pond pollution, home heating, and biomass transfer problem.

Fig. 1 Numerical simulation of y1 at different fractional order References

value [1] Caputo, M., and Fabrizio, M. A., 2015, “New Definition of Fractional
Derivative Without Singular Kernel,” Prog. Fract. Differ. Appl., 1(2), pp.
1–13.
[2] Losada, J., and Nieto, J. J., 2015, “Properties of a New Fractional Derivative
Without Singular Kernel,” Prog. Fract. Differ. Appl., 1(2), pp. 87–92.
[3] Atangana, A., and Alkahtani, B. S. T., 2015, “Analysis of the Keller–Segel
Model With a Fractional Derivative Without Singular Kernel,” Entropy,
17(12), pp. 4439–4453.
[4] Atangana, A., and Baleanu, D., 2016, “New Fractional Derivatives With Nonlo-
cal and Non-Singular Kernel Theory and Application to t Transfer Model,”
Therm. Sci., 20(2), pp. 763–769.
[5] Farman, M., Saleem, M. U., Tabassum, M. F., Ahmad, A., and Ahmad, M. O.,
2019, “A Linear Control of Composite Model for Glucose Insulin Glucagon,”
Ain Shamas Eng. J., 10(4), pp. 867–872.
[6] Farman, M., Saleem, M. U., Ahmad, A., Imtiaz, S., Tabassum, M. F., Akram,
S., and Ahmad, M. O., 2020, “A Control of Glucose Level in Insulin Therapies
for the Development of Artificial Pancreas by Atangana Baleanu Fractional
Derivative,” Alexandria Eng. J., 59(4), pp. 2639–2648.
[7] Farman, M., Akg€ ul, A., Baleanu, D., Imtiaz, S., and Ahmad, A., 2020,
“Analysis of Fractional Order Chaotic Financial Model With Minimum Interest
Rate Impact,” Fractal Fract., 4(3), p. 43.
[8] Saleem, M. U., Farman, M., Ahmad, A., Ehsan, H., and Ahmad, M. O., 2020,
“A Caputo Fabrizio Fractional Order Model for Control of Glucose in Insulin
Therapies for Diabetes,” Ain Shamas Eng. J., 11(4), pp. 1309–1316.
[9] Khan, M. A., and Atangana, A., 2020, “Modeling the Dynamics of Novel Coro-
navirus (2019- NCOV) With Fractional Derivative,” Alexandria Eng. J., 59(4),
pp. 2379–2389.2020
[10] Atangana, A., Bonyah, E., and Elsadany, A. A. A., 2020, “Fractional-Order
Fig. 2 Numerical simulation of y2 at different fractional order Optimal 4D Chaotic Financial Model to Mittag-Leffler Law,” Chin. J. Phys.,
value 65, pp. 38–53.
[11] Huo, H. F., Chen, R., and Wang, X. Y., 2016, “Modelling and Stability of HIV/
AIDS Epidemic Model With Treatment,” Appl. Math. Model., 40(13–14), pp.
6550–6559.
[12] Moore, E. J., Sirisubtawee, S., and Koonprasert, S. A., 2019, “Caputo–Fabrizio
Fractional Differential Equation Model for HIV/AIDS with Treatment
Compartment,” Adv. Differ. Eq., 2019(1), pp. 1–13.
[13] Toufik, M., and Atangana, A., 2017, “New Numerical Approximation of Frac-
tional Derivative With Non-Local and Non-Singular Kernel: Application to
Chaotic Models,” Eur. Phys. J. Plus, 132(10), p. 444.
[14] Lic, M., and Inc, M., 2015, “The First Integral Method for the Time Fractional
Kaup-Boussinesq System With Time Dependent Coefficient,” Appl. Math.
Comput., 254, pp. 70–74.
[15] Baleanu, D., Ugurlu, Y., Inc, M., and Kilic, B., 2015, “Improved (G’/G)(G’/G)-
Expansion Method for the Time-Fractional Biological Population Model and
Cahn–Hilliard Equation,” ASME. J. Comput. Nonlinear Dynam., 10(5),
p. 051016.
[16] Baleanu, D., Inc, M., Yusuf, A., and Aliyu, A. I., 2018, “Time Fractional Third-
Order Evolution Equation: Symmetry Analysis, Explicit Solutions, and Conser-
vation Laws,” ASME. J. Comput. Nonlinear Dynam., 13(2), p. 021011.
[17] Baleanu, D., Inc, M., Yusuf, A., and Aliyu, A. I., 2017, “Lie Symmetry Analy-
sis, Exact Solutions and Conservation Laws for the Time Fractional Modified
Zakharov–Kuznetsov Equation,” Nonlinear Anal. Model. Control, 22(6), pp.
861–876.
[18] Mustafa, I., Abdullahi, Y., Aliyu, A. I., and Baleanu, D., 2018, “Time-
Fractional Cahn–Allen and Time-Fractional Klein–Gordon Equations: Lie
Symmetry Analysis, Explicit Solutions and Convergence Analysis,” Phys. A
Stat. Mech. Appl., 493, pp. 94–106.
[19] Mustafa, I., Abdullahi, Y., Aliyu, A. I., and Baleanu, D., 2018, “Lie Symmetry
Analysis, Explicit Solutions Andconservation Lawsfor the Space–Time Frac-
Fig. 3 Numerical simulation of y3 at different fractional order tional Nonlinear Evolution Equations,” Phys. A: Stat. Mech. Appl., 496, pp.
value 371–383.

071007-6 / Vol. 17, JULY 2022 Transactions of the ASME

[20] Qureshi, S., Yusuf, A., Shaikh, A. A., and Inc, M., 2019, “Transmission
Dynamics of Varicella Zoster Virus Modeled by Classical and Novel Fractional
Operators Using Real Statistical Data,” Phys. A: Stat. Mech. Appl., 534,
p. 122149.
[21] Korpinar, Z., Tchier, F., Inc, M., Ragoub, L., and Bayram, M., 2019, “New Sol-
utions of the fractional boussinesq-Like Equations by Means of Conformable
Derivatives,” Results Phys., 13, p. 102339.
[22] Korpinar, Z., Tchier, F., Inc, M., Ragoub, L., and Bayram, M., 2019,
“New Soliton Solutions of the fractional regularized long Wave Burger
Equation by Means of Conformable Derivative,” Results Phys., 14, p.
102395.
[23] Hashemi, M. S., Inc, M., and M., Bayram, 2019, “Symmetry Properties and
Exact Solutions of the Time Fractional Kolmogorov-Petrovskii-Piskunov Equa-
tion,” Rev. Mexicana de Fisica, 65(5 Sept-Oct), pp. 529–535.
[24] Yusuf, A., Inc, M., and Bayram, M., 2019, “Invariant and Simulation Analysis
to the Time Fractional Abrahams–Tsuneto Reaction Diffusion System,” Phys.
Scr., 94(12), p. 125005.
[25] Korpinar, Z., Inc, M., Baleanu, D., and Bayram, M., 2019, “Theory and Appli-
cation for the Time Fractional Gardner Equation With Mittag-Leffler Kernel,”
J. Taibah Univ. Sci., 13(1), pp. 813–819.
[26] Ghanbari, B., Kumar, D., and Singh, J., 2021, “An Efficient Numerical
Method for Fractional Model of Allelopathic Stimulatory Phytoplankton
Species With Mittag-Leffler Law,” Discrete Contin. Dyn. Syst. - S, 14(10), pp.
3577–3587.
Journal of Computational and Nonlinear Dynamics
[27] Singh, J., Ganbari, B., Kumar, D., and Baleanu, D., 2021, “Analysis of Frac-
tional Model of Guava for Biological Pest Control With Memory Effect,” J.
Adv. Res., 32, pp. 99–108.
[28] Singh, J., 2020, “Analysis of Fractional Blood Alcohol Model With
Composite Fractional Derivative,” Chaos, Solitons Fractals, 140, p. 110127.
[29] Singh, J., Ahmadian, A., Rathore, S., Kumar, D., Baleanu, D., Salimi, M., and
Salahshour, S., 2021, “An Efficient Computational Approach for Local
Fractional Poisson Equation in Fractal Media,” Numer. Methods Part. Diff. Eq.,
37(2), pp. 1439–1448.
[30] Yadav, S., Kumar, D., Singh, J., and Baleanu, D., 2021, “Analysis and Dynam-
ics of Fractional Order Covid-19 Model With Memory Effect,” Results Phys.,
24, p. 104017.
Downloaded from http://asmedigitalcollection.asme.org/computationalnonlinear/article-pdf/17/7/071007/6881654/cnd_017_07_071007.pdf by Dalian University Of Technology user on 17 December 2023
[31] Chemical Kinetics, 2020, “Chemical Kinetics,” accessed Aug. 24, 2021, https://
chem.libretexts.org/@go/page/106822
[32] Scholz, G., and Scholz, F., 2015, “First-Order Differential Equations in Chem-
istry,” Chem. Texts, 1, p. 1.
[33] Craciun, G., Matthew, D., Johnston, Szederkenyi, G., Tonello, E., T oth, J., and
Polly, Y. Y., 2020, “Realizations of Kinetic Differential Equations,” Math. Bio-
sci. Eng., 17(1), pp. 862–892.
[34] Akg€ ul, A., Sarbaz., and H. A., Khoshnaw, 2020, “Application of Fractional on
Non-Linear Biochemical Reaction Models,” Int. J. Intell. Networks, 1, pp. 52–58.

[35] Amat, S., Legaz, M. J., and Ruiz-Alvarez, J., 2019, “On a Variational Method
for Stiff Differential Equations Arising From Chemistry Kinetics,” Mathemat-
ics, 7(5), p. 459.
JULY 2022, Vol. 17 / 071007-7