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Acetone, Mox, Diabetes 2022
Acetone, Mox, Diabetes 2022
https://doi.org/10.1007/s10825-022-01882-0
Received: 14 January 2022 / Accepted: 30 March 2022 / Published online: 13 May 2022
© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022
Abstract
The presence of acetone gas in human exhaled breath is an important test for the detection of diabetes. Much research has
been focused on developing a noninvasive technique for diabetes detection. Among the various gas sensors, semiconductor
metal oxide-based gas sensors have garnered research interest because of advantages such as fabrication simplicity, low
cost, and low power consumption. In this work, nickel oxide (NiO) is used as the sensing material for detecting acetone.
The sensitivity of NiO towards acetone gas was analyzed using COMSOL Multiphysics and the results were compared with
experimental data. For an acetone concentration in the range of 5–40 ppm, the results from the simulated sensor showed
good agreement with the real sensor, with some anomalies due to the practical conditions in the real chamber and the simu-
lation tool. Comprehensive finite element analysis of the sensor was performed for different operating temperatures and
gas concentrations ranging from 1 to 40 ppm in order to analyze diverse diabetes mellitus conditions. Analytical modeling
was also developed to analyze the effect of the change in acetone concentration on the resistance of the sensing layer. For a
user-friendly interface, a signal conditioning unit and an alarm system for diabetes detection were also built. The COMSOL
Multiphysics simulation was extended using a MATLAB script to integrate the results with the signal conditioning unit in
the Proteus software program. The findings also demonstrated that this approach might be used to describe and determine
the performance of acetone gas sensors prior to fabrication.
Keywords Acetone gas · NiO · Finite element analysis · Signal conditioning unit · Proteus
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occurs when the body is unable to produce insulin, whereas O−2 (ads) + e− ↔ 2O− (ads) (< 100 − 300 o C) (3)
type 2 diabetes occurs when the body cannot utilize the insu-
lin produced. Breath acetone concentration is correlated with
the diabetes condition [17]. O− (ads) + e− ↔ O2− (ads) (> 300 o C) (4)
An acetone concentration between 1.8 and 21 ppm indi- When the sensor is exposed to reducing acetone gas, the
cates type 1 diabetes [18]. People with diabetes mellitus sensor molecules react with the adsorbed oxygen, causing
must regularly monitor their blood glucose levels. Breath the adsorbed electrons to be injected back into the sensing
acetone concentration is correlated with the type of diabetes surface. This causes the sensing layer resistance to increase.
[16]. Developing a noninvasive technique for diabetes detec- Reactions will occur as shown in Eq. (5) below [21].
tion will be a great advancement in the biomedical field.
In this work, COMSOL Multiphysics was used to exam- CH3 COCH3 (gas) + 8O− → 3CO2 + 3H2 O + 8e− (5)
ine the performance characteristics of the gas sensor. A
theoretical study and investigation of p-type NiO-based gas
sensors towards acetone gas were carried out. The influence
3 Sensor performance analysis
of gas concentration on the rate of change in the resistance
with COMSOL Multiphysics
of the sensing layer was also investigated. The simulation
The sensor model was simulated using the COMSOL Mul-
results showed good agreement with the experimental data.
tiphysics tool. Three models were used for the simulation:
To the best of our knowledge, no previously published
gas exposure, electrical property, and heat transfer. The dif-
research work has used the interlinking of COMSOL with
ferent phases in the simulation of the gas sensor are shown
MATLAB for gas sensing applications. In this work, the
in Fig. 1. A cylindrical chamber with an equal height and
MATLAB tool was used to expand the COMSOL results by
radius of 16 mm was formed in the gas exposure model, with
monitoring them in real time. The output from COMSOL
a 20-mm diameter inlet and two 10-mm diameter outlets. The
was incorporated into a function that links concentration,
gas was injected into the chamber from the top base and was
temperature, and time using special commands. This func-
retrieved from the other end via two outlets, allowing for a
tion was used to control the signal conditioning unit to meas-
simple outward flow of the gas. Various concentrations of
ure the change in resistance in the sensing layer with acetone
acetone gas were introduced into the chamber via the inlet.
gas concentration simulated using Proteus software and the
Modules of solid mechanics, chemical transport species, and
temperature control unit. The sensor’s output was integrated
electrical and heat transfer were employed to implement the
with a signal conditioning unit to develop a noninvasive
structure. Farshad et al. [22] reported a generic method for gas
technique for diabetes detection. A warning system was also
sensing by COMSOL Multiphysics using Eqs. (6)–(13). The
installed to identify the type of diabetic condition, which is
Navier–Stokes equation was used to model the flow of gas in
a significant benefit in developing gas sensing techniques.
the chamber, which is given by Eq. (6):
��⃗
DU
2 Sensing principle of the metal oxide gas 𝜌 = −▿P + 𝜌g + 𝜂▿2 U (6)
Dt
sensor
where P, g, 𝜌 , U, and 𝜂 are the gas pressure, gravity, gas flux,
The adsorption–desorption process between the sens- velocity, and viscosity, respectively. The above equation is
ing material and the target gas is responsible for the gas
response. When atmospheric oxygen is adsorbed on the sur-
face of the sensing material, the oxygen molecules absorb
the electrons in the NiO grains. As a result, the oxygen
molecule becomes an O − ion and causes an increase in the
concentration of holes [19]. As more holes are generated,
increased electron transport occurs, which causes a decrease
in the resistance of the sensing layer. The following Eqs.
(1)–(4) summarize the concepts [20].
O2(gas) → O2 (ads) (1)
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Journal of Computational Electronics (2022) 21:1017–1025 1019
solved using the continuity equation, which is given by Eq. different stages of diabetes are shown in the inset of Fig. 2.
(7), for achieving the gas field velocity: The resistance was found to decrease with increasing tem-
perature, indicating that further reaction did not contribute
𝛿𝜌 ��⃗ = 0
+ ▿(𝜌U) (7) to the sensitivity of the sensor, and maximum sensitivity
𝛿t was observed at 325 o C. It was noted that the resistance
The value of 𝜌 becomes zero for an incompressible flow of of the sensing layer increased to 3 M 𝛺 at a concentration
gas. Therefore, the equation is shortened to of 40 ppm, and the increase in resistance was 100 k 𝛺 at 1
ppm acetone concentration. The variation in resistance with
��⃗ = 0
▿U (8) respect to temperature at different concentrations is shown
in Fig. 2.
The pressure inlet and outlet boundary conditions are given
by Eq. (9):
Pinlet = 0 4 Experimental technique
(9)
Poutlet = 0
The nanoparticle size and morphology were characterized
Heat is transferred from the sensor’s heater to the sensing using field emission scanning microscopy (FE-SEM). The
layer in the heat transfer model through conduction, which FE-SEM images of the NiO nanoparticles are shown in
is provided by Eq. (10): Fig. 3 and the experimental setup for detecting acetone gas
is shown in Fig. 4.
qi = −k▿Ti (10) The synthesized metal oxide nanoparticles were depos-
where k denotes electrical conductivity, Ti denotes tempera- ited on the interdigitated electrode. A vacuum chamber
ture, and qi denotes flux density. Heat will be transferred was used to enclose the sensor. According to the gas sens-
to the ambient air and the device’s edges via radiation and ing principle explained in Sect. 3, when acetone gas is
convection. Neumann’s cooling law describes this process applied to the sensing chamber, the resistance of the sens-
in Eq. (11): ing layer increases. When the acetone supply is replaced
with air, the resistance decreases. The simulation data
q0 = he (Tsur − Tair ) (11) were validated with experimental results for acetone con-
centrations ranging from 5 to 40 ppm, as shown in Fig. 5.
q0 is the heat transferred, he is the heat transfer coefficient,
The small mismatch between the experimental result and
and Tair and Tsur are the air and surface temperature, respec-
the simulation data is due to the non-ideal conditions
tively. If Vi is the electric potential, then Poisson’s equation
occurring during the experiment. Since the simulation
[Eq. (12)] depicts the response between the sensing layer and
results show good agreement with the experimental data,
the gas molecules in the electrical model.
we extended the simulation with the same conditions up
▿2 Vi = 0 (12)
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Journal of Computational Electronics (2022) 21:1017–1025 1021
5 Calculation of rate of change in resistance The adsorption of gas molecules of acetone over the sur-
face of the oxide layer results in resistance changes. The
The rate of change in resistance, dR/dt, versus time for vari- response of a gas sensor to a target gas is the most important
ous concentrations of acetone gas is shown in Fig. 8, which characteristic. The response for a p-type metal oxide with
illustrates that the peak values achieved are proportional to reducing type target gas is expressed as a ratio of the resist-
the gas concentration. ance variation Racetone/Rair , where Racetone and Rair are the gas
As the rate of adsorption is higher for a high concentra- sensor resistance in acetone and air, respectively [25]. Fig-
tion of acetone gas, the resistance is also high. Moreover, ure 9 graphs the response versus time for the sensor, which
the rate of change will be greatest as the acetone gas flow is shows that NiO exhibits higher sensitivity to acetone. It is
turned on or off. The conductivity of the sensor layer also also observed that the proposed sensor may be used to detect
varies depending on the type of impurity. The conductivity acetone gas. Table 1 compares the features of gas sensing
𝜎 of the NiO sensing layer on adsorption of acetone gas can between the present results and previously published studies.
be expressed as follows [24]: At lower acetone concentrations, the proposed sensor pro-
vides a more significant response than the other materials.
𝜎sensing = (NA − 𝛼Ct)𝜇n q + (p + 𝛼Ct)𝜇p q (14) Apart from studying sensors in terms of concentration
and temperature, thickness is another aspect that influences
where 𝛼 , C, NA , p, 𝜇n , 𝜇p , q, A, and l are the adsorption
sensing behavior. Layers with a high surface-area-to-volume
coefficient, target gas concentration, acceptor impurity with
ratio provide more surface sites for oxygen to adsorb from
carrier concentration, carrier concentration of holes, elec-
the gas phase [29]. When oxygen is adsorbed on the sur-
tron drift velocity, hole drift velocity, charge, cross-sectional
face, NiO produces hole accumulation. Trapping electrons
area, and length, respectively. Equation (14) can be rewritten
during oxygen adsorption increases the hole concentration
using the relation R = l∕A𝜎.
[30]. Acetone removes the adsorbed oxygen, which causes
A dR 𝛼C(𝜇n − 𝜇p ) a release of electrons back into the film, decreasing the hole
= (15)
l dt q(NA 𝜇n + p𝜇p )2
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concentration and increasing the resistivity. A negative represent the sensor characteristics. This function is required
charge on the surface and extra holes near the surface induce in the signal conditioning unit simulated in Proteus software
the accumulation layer [31]. The 50-nm-thick annealed NiO for developing a user-friendly interface. To accomplish this, a
films had the lowest sensor baseline resistivity, which also mathematical transfer function based on temperature, gas con-
correlates with the highest gas sensor response (Fig. 10) centration, and temporal variations in the sensor response was
[11]. extracted and created in the MATLAB environment. A dis-
The changes in resistance from the performance evalua- tinct mathematical function, Z, based on the factors mentioned
tion software must be measured in real time, which necessi- above was built to achieve an electrical response depending on
tates the use of signal conditioning circuitry. To transfer data temperature (T), concentration (C), and time fluctuations (t).
between these two components, an interface is necessary.
MATLAB software was utilized as the interaction medium
Z(T, C, t) = Z𝛼 (T).Z𝛽 (C).Z𝛾 (t) (17)
in this work. Computational techniques in MATLAB software were used
to determine Z𝛼 , Z𝛽 , and Z𝛾 (t).
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Journal of Computational Electronics (2022) 21:1017–1025 1023
Z0 is the starting point for each effective gas absorption. COMSOL, MATLAB, and Proteus to develop a NiO gas
The Z1 function, which is a function of the temperature and sensor for detecting acetone. The methods required to cre-
concentration variables, is multiplied by the exponent. Time ate the function and the procedures utilized to detect the
multiplied by Z2 , the second function of gas concentration various stages of diabetes mellitus are given in Fig. 13.
and temperature, is the exponent of the exponential function. At 40 ppm acetone concentration, the sensor resistance
Variations in gas concentration can be detected and ana- was ∼ 2.83M𝛺 , and the output voltage was 0.76 V. At 1
lyzed using a low-power signal conditioning device based ppm, the resistance was ∼ 91k𝛺 , and the output voltage
on an Analog Devices AD623 instrumentation amplifier was 4.5 V. Therefore, as the concentration of the input gas
[32]. A temperature-regulated unit calculates and con- decreased, the resistance value decreased and the voltage
trols the operational temperature. The built-in MATLAB increased.
function, which is controlled by a Microchip Technology A tricolor light-emitting diode (LED) signaling system
PIC16F877A microcontroller, monitors the diabetes con- was also devised to show the type of diabetes in relation
dition. The sensor temperature was stabilized by regulating to the concentration of acetone gas in the breath. When the
the microheater actuator voltage. The resistance variation concentration reached 1.8 ppm, the green LED was illumi-
due to the acetone gas adsorption on the NiO surface was nated, showing no diabetes. Figure 14 shows the simulated
observed in the range of 91 k 𝛺 to 2.83 M 𝛺 . Table 2 shows result and the hardware implementation (inset). A yellow
the resistance output voltage and display output values for LED was illuminated when the concentration was between
the NiO when the acetone gas concentration is decreased 1.8 and 21 ppm, indicating type 1 diabetes. If the con-
from 40 ppm to 1 ppm. This is the first work to employ centration exceeded 21 ppm, a red LED was illuminated,
indicating type 1 diabetes in a critical stage.
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1024 Journal of Computational Electronics (2022) 21:1017–1025
Table 2 Signal conditioning Gas concentration Sensor resistance Output voltage Display for various
output along with the display (ppm) (average) ( 𝛺) (V) diabetes conditions
output for the NiO sensor
1–1.8 91–163 k 4.5–4.23 Diabetes-free
1.8–21 163 k–1.6 M 4.23–2.02 Type 1 diabetes: alert
21–40 1.6–2.83 M 2.02–1.04 Type 2 diabetes: critical
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Journal of Computational Electronics (2022) 21:1017–1025 1025
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Conflict of interest The authors declare that they have no conflict of 17. Saasa, V., Malwela, T., Beukes, M., Mokgotho, M., Liu, C.P.,
interest. Mwakikunga, B.: Sensing technologies for detection of acetone in
human breath for diabetes diagnosis and monitoring. Diagnostics
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lization of nickel and nickel oxide nanoparticles: a green adeptness.
jurisdictional claims in published maps and institutional affiliations.
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