Finite Element Simulation Model of Metallic Thermal Conductivity Detectors for Compact Air Pollution Monitoring Devices
<p>Full geometry of the electrode placed at the centre of the gas block (<b>left</b>)—the electrode is very small compared to the gas volume. Electrode-only zoom-in (<b>right</b>).</p> "> Figure 2
<p>Thermal conductivity (<b>a</b>,<b>d</b>,<b>g</b>), heat capacity at constant pressure (<b>b</b>,<b>e</b>,<b>h</b>), and density (<b>c</b>,<b>f</b>) of air (<b>a</b>–<b>c</b>), CO<sub>2</sub> (<b>d</b>–<b>f</b>), and NH<sub>3</sub> (<b>g</b>,<b>h</b>). NH<sub>3</sub> has a constant density of 0.73 kg/m<sup>3</sup> (not plotted).</p> "> Figure 3
<p>Temperature distribution in the electrode for the different metal–gas combinations at the last simulation time of 10 s. The metals used are Al (<b>a</b>–<b>c</b>), Au (<b>d</b>–<b>f</b>), and W (<b>g</b>–<b>i</b>) with respective input voltages of 0.17 V, 0.15 V, and 0.25 V, while the gases are NH<sub>3</sub> (<b>a</b>,<b>d</b>,<b>g</b>), air (<b>b</b>,<b>e</b>,<b>h</b>), and CO<sub>2</sub> (<b>c</b>,<b>f</b>,<b>i</b>).</p> "> Figure 4
<p>Graphs of the temperature at the centre of the electrode as a function of time with all 3 gases for Al (<b>a</b>), Au (<b>b</b>), and W (<b>c</b>).</p> "> Figure 5
<p>Thermal conductivity of air, NH<sub>3</sub>, and CO<sub>2</sub> as a function of temperature (data from COMSOL).</p> "> Figure 6
<p>Electrode resistance as a function of the input voltage in the presence of each of 3 gases (CO<sub>2</sub>, air, and NH<sub>3</sub>) for all 3 electrode materials (Al (<b>a</b>), Au (<b>b</b>), and W (<b>c</b>)).</p> "> Figure 7
<p>Electrode centre temperature as a function of the input potential for all 3 gases (CO<sub>2</sub>, air, and NH<sub>3</sub>) and electrode materials (Al (<b>a</b>), Au (<b>b</b>), and W (<b>c</b>)).</p> "> Figure 8
<p>Electrode centre temperature for Al (<b>a</b>–<b>c</b>), Au (<b>d</b>–<b>f</b>), and W (<b>g</b>–<b>i</b>) over 0.01 s (<b>a</b>,<b>d</b>,<b>g</b>), 0.2 ms (<b>b</b>,<b>e</b>,<b>h</b>), 0.04 ms (<b>c</b>,<b>f</b>,<b>i</b>) timeframes.</p> "> Figure 8 Cont.
<p>Electrode centre temperature for Al (<b>a</b>–<b>c</b>), Au (<b>d</b>–<b>f</b>), and W (<b>g</b>–<b>i</b>) over 0.01 s (<b>a</b>,<b>d</b>,<b>g</b>), 0.2 ms (<b>b</b>,<b>e</b>,<b>h</b>), 0.04 ms (<b>c</b>,<b>f</b>,<b>i</b>) timeframes.</p> ">
Abstract
:1. Introduction
- Catalytic pellistors: Conventionally used for gas detection, these devices consist of an active bead, encasing a platinum coil and treated with a catalyst, to reduce the temperature at which the surrounding gas ignites. When the target gas burns, the active bead heats up and a resistance change proportional to the gas concentration is achieved. There have been microfabrication processing efforts to reduce their typically large power consumption [9,10,11].
- Acoustic techniques: These devices detect the change in the oscillation frequency of an oscillating (e.g., micromachined cantilevers) or piezoelectric material in the presence of a target gas. For instance, a sensitive and selective material can be used as a coating; the adsorption of the target gas on this coating results in a change in mass, and hence, the oscillating frequency [12]. Miniaturisation-compatible, low-power technologies include quartz crystal microbalance (QCM), surface acoustic resonators (SAR), and film bulk acoustic resonators (FBAR).
- Chemiresistive sensors: These devices detect gases through a chemical reaction between the sensing layer and the gas. Metal oxides have traditionally been used for the sensing layer, and their main advantages are their selectivity to some oxidising or reducing gas species, small size, high sensitivity, and fast response [13]; however, these sensors usually require heating [14], and research is still being conducted to reduce their power consumption [11]. Recently, 2D materials, mainly graphene and graphene oxide, have been explored as sensing layers, and their effective gas detection and discrimination have been proven at room temperature [15].
- Electrochemical sensors: These devices exist in two types: potentiometric and amperometric. Potentiometric sensors detect the change in the differential voltage between a working electrode and a reference electrode in the presence of a target gas. Amperometric sensors, on the other hand, are based on an enzyme-catalysed ion exchange between a working electrode and a counter-electrode, which results in a current change in the function of the target gas concentration [12,17].
- Optical sensors: These devices operate based on the principle that gases are able to absorb light in the infrared region, with the absorption profile being specific to each gas [12].
2. Materials and Methods
2.1. Functional Mechanisms of TCD Gas Sensors
2.2. FEM Workflow
- Building the geometry.
- Assigning a material to each part of the geometry.
- Choosing suitable physics and boundary conditions—COMSOL also has Multiphysics nodes, which allows us to combine two physics and observe their combined effects.
- Meshing the geometry.
- Choosing a study and simulating the model.
- Postprocessing the results.
2.3. Geometry and Materials
2.4. Physics
- : reference temperature, considered to be 20 °C (293.15 K);
- : reference resistivity at ;
- : resistivity temperature coefficient (TCR).
2.5. Meshing
2.6. Study
3. Results and Discussion
3.1. Centre Temperature
- Au, Al, and W, respectively, require increasing input voltages for the electrode to reach the same temperature range.
- NH3 results in a lower electrode temperature, while CO2 results in a higher one, compared to air, regardless of the electrode material.
3.2. Current and Resistance
- The resistance values in Table 2 are higher than the cold resistances mentioned in Section 3.1 due to the heating effect.
- The presence of NH3 results in a lower resistance than air, while CO2 results in a higher resistance. This is related to the second observation made in Section 3.1 and the linear relationship between temperature and resistance.
- The current no longer increases linearly with the input voltage because the resistance is changing. Plotting the resistance as a function of the input voltage, the graphs in Figure 6 are obtained.
- Once again, it is confirmed that CO2 results in higher resistance than air, while NH3 produces lower resistance.
- There is a linear relationship between resistance and the applied voltage.
- At low voltages, the difference in resistance between the 3 gases is minimal. Therefore, in order to obtain better sensor performance, it is recommended to use input voltages over 0.15 V for Al and Au, and 0.2 V for W. The higher the input voltage, the more obvious the difference in the resistance values; but in actual devices, it is important to consider the fuse effect so as not to blow the electrodes.
3.3. Voltage and Temperature
3.4. Transient Behavior
4. Conclusions
- The material resistivity, which determines the electrode resistance, influences the input voltage level required for the electrode to reach a specific temperature: higher voltages are required for higher resistances/resistivities, and vice versa.
- The gas thermal conductivity, which determines the amount of heat dissipation, influences the electrode temperature. At a set input voltage, and regardless of the electrode material, a gas with higher thermal conductivity results in a lower electrode temperature, and vice versa.
- Building upon the previous point, the current flow in the electrode, and hence, its resistance, depend on its temperature. A gas with higher thermal conductivity results in lower electrode resistance and a higher current.
- The higher the TCR of the electrode material, the higher the sensitivity.
- There is a linear relationship not only between resistance and temperature, but also between resistance and voltage, and temperature and voltage.
- Based on the above, W is the best electrode material in terms of sensitivity, but it also induces higher power consumption (higher resistance and required input voltage). Au, on the other hand, has the lowest sensitivity, but draws the least power.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
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Material Property | Al | Au | W |
---|---|---|---|
Heat capacity at constant pressure [J/(kg·K)] | 904 | 129 | 132 |
Density (kg/m3) | 2700 | 19300 | 19350 |
Thermal conductivity [W/(m·K)] | 237 | 317 | 174 |
Relative permittivity | 1.55 | 6.9 | 1 |
Reference resistivity (Ω·m) | 2.65 × 10−8 | 2.40 × 10−8 | 5.60 × 10−8 |
Resistivity temperature coefficient TCR (1/K) | 0.00429 | 0.0034 | 0.0045 |
Reference temperature (K) | 293.15 | 293.15 | 293.15 |
Electrical conductivity (S/m) | 3.55 × 107 | 4.56 × 107 | 2.00 × 107 |
Coefficient of thermal expansion (1/K) | 2.31 × 10−5 | 1.42 × 10−5 | 4.50 × 10−6 |
Young’s modulus (Pa) | 7.00 × 1010 | 7.00 × 1010 | 4.11 × 1011 |
Poisson’s ratio | 0.35 | 0.44 | 0.28 |
CO2 | Air | NH3 | %ΔCO2 | %ΔNH3 | |
---|---|---|---|---|---|
Al | 16.088 | 14.872 | 14.461 | 8.176 | 2.765 |
Au | 12.887 | 11.991 | 11.709 | 7.466 | 2.357 |
W | 34.845 | 32.170 | 31.261 | 8.314 | 2.827 |
Material | Gas | T0.04ms (°C) | T0.04ms/T10s (%) | R0.04ms (Ω) | R0.04ms/R10s (%) |
---|---|---|---|---|---|
Al | Air | 173.34 | 72.89 | 12.81 | 86.14 |
CO2 | 183.83 | 67.14 | 13.19 | 82.00 | |
NH3 | 167.59 | 74.47 | 12.63 | 87.35 | |
Au | Air | 158.51 | 68.84 | 10.33 | 86.12 |
CO2 | 171.86 | 64.29 | 10.66 | 82.71 | |
NH3 | 154.04 | 70.59 | 10.22 | 87.33 | |
W | Air | 169.36 | 70.76 | 27.28 | 84.79 |
CO2 | 184.17 | 66.96 | 28.44 | 81.61 | |
NH3 | 164.18 | 72.53 | 26.93 | 86.13 |
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Mallah, J.; Occhipinti, L.G. Finite Element Simulation Model of Metallic Thermal Conductivity Detectors for Compact Air Pollution Monitoring Devices. Sensors 2024, 24, 4683. https://doi.org/10.3390/s24144683
Mallah J, Occhipinti LG. Finite Element Simulation Model of Metallic Thermal Conductivity Detectors for Compact Air Pollution Monitoring Devices. Sensors. 2024; 24(14):4683. https://doi.org/10.3390/s24144683
Chicago/Turabian StyleMallah, Josée, and Luigi G. Occhipinti. 2024. "Finite Element Simulation Model of Metallic Thermal Conductivity Detectors for Compact Air Pollution Monitoring Devices" Sensors 24, no. 14: 4683. https://doi.org/10.3390/s24144683