Polymer–Plasticizer Coatings for BTEX Detection Using Quartz Crystal Microbalance

Iyer, Abhijeet R.; Mitevska, Veselinka B.; Samuelson, Jonathan J.; Campbell, Scott W.; Bhethanabotla, Venkat R.

doi:10.3390/s21165667

Cited by 6 publications

(3 citation statements)

References 30 publications

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“…Many analytical techniques have been used to quantify the concentration of benzene, toluene, and ethylbenzene in water at trace levels, including gas chromatography-mass spectrometry (GC-MS) [17], headspace-gas chromatography-mass spectrometry (HSGC-MS) [18], high-performance liquid chromatography (HPLC) [19], UV-laser-induced fluorescence spectroscopy [20], and polymer-based quartz crystal microbalance (QCM) sensors [21]. Although many of these methods have excellent detection limits and are capable of multi-element analysis, they also have some limitations in relation to the precise detection of trace amounts of aromatic compounds, such as benzene, toluene, and ethylbenzene.…”

Section: Introductionmentioning

confidence: 99%

Detection of Aromatic Hydrocarbons in Aqueous Solutions Using Quartz Tuning Fork Sensors Modified with Calix[4]arene Methoxy Ester Self-Assembled Monolayers: Experimental and Density Functional Theory Study

Rahman,

Al-Gawati,

Alfaifi

et al. 2023

Molecules

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Quartz tuning forks (QTFs), which were coated with gold and with self-assembled monolayers (SAM) of a lower-rim functionalized calix[4]arene methoxy ester (CME), were used for the detection of benzene, toluene, and ethylbenzene in water samples. The QTF device was tested by measuring the respective frequency shifts obtained using small (100 µL) samples of aqueous benzene, toluene, and ethylbenzene at four different concentrations (10−12, 10−10, 10−8, and 10−6 M). The QTFs had lower limits of detection for all three aromatic hydrocarbons in the 10−14 M range, with the highest resonance frequency shifts (±5%) being shown for the corresponding 10−6 M solutions in the following order: benzene (199 Hz) > toluene (191 Hz) > ethylbenzene (149 Hz). The frequency shifts measured with the QTFs relative to that in deionized water were inversely proportional to the concentration/mass of the analytes. Insights into the effects of the alkyl groups of the aromatic hydrocarbons on the electronic interaction energies for their hypothetical 1:1 supramolecular host–guest binding with the CME sensing layer were obtained through density functional theory (DFT) calculations of the electronic interaction energies (ΔIEs) using B3LYP-D3/GenECP with a mixed basis set: LANL2DZ and 6-311++g(d,p), CAM-B3LYP/LANL2DZ, and PBE/LANL2DZ. The magnitudes of the ΔIEs were in the following order: [Au4-CME⊃[benzene] > [Au4-CME]⊃[toluene] > [Au4-CME]⊃[ethylbenzene]. The gas-phase BSSE-uncorrected ΔIE values for these complexes were higher, with values of −96.86, −87.80, and −79.33 kJ mol−1, respectively, and −86.39, −77.23, and −67.63 kJ mol−1, respectively, for the corresponding BSSE-corrected values using B3LYP-D3/GenECP with LANL2dZ and 6-311++g(d,p). The computational findings strongly support the experimental results, revealing the same trend in the ΔIEs for the proposed hypothetical binding modes between the tested analytes with the CME SAMs on the Au-QTF sensing surfaces.

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Section: Introductionmentioning

confidence: 99%

Detection of Aromatic Hydrocarbons in Aqueous Solutions Using Quartz Tuning Fork Sensors Modified with Calix[4]arene Methoxy Ester Self-Assembled Monolayers: Experimental and Density Functional Theory Study

Rahman,

Al-Gawati,

Alfaifi

et al. 2023

Molecules

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“…According to researchers in recent decades, the gas sensors based on quartz crystal microbalance (QCM) have proven to be effective devices for detecting BTEX. 4,5 QCM gas sensors have a unique sensitivity to detect minute changes in mass at the sensor surface. This capability allows for a rapid response to changes in the ambient gas environment.…”

mentioning

confidence: 99%

“…In the United States, the indoor air standard for benzene is 0.027 mg/m 3 (94 ppb); in Europe, it is 0.02 mg/m 3 (70 ppb); and in China, it is 0.03 mg/m 3 (104 ppb). According to researchers in recent decades, the gas sensors based on quartz crystal microbalance (QCM) have proven to be effective devices for detecting BTEX. , …”

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confidence: 99%

Thermodynamically and Kinetically Enhanced Benzene Vapor Sensor Based on the Cu–TCPP–Cu MOF with Extremely Low Limit of Detection

Ma,

Zhang,

Xue

et al. 2024

ACS Sens.

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As a carcinogenic and highly neurotoxic hazardous gas, benzene vapor is particularly difficult to be distinguished in BTEX (benzene, toluene, ethylbenzene, xylene) atmosphere and be detected in low concentrations due to its chemical inertness. Herein, we develop a depth-related pore structure in Cu− TCPP−Cu to thermodynamically and kinetically enhance the adsorption of benzene vapor and realize the detection of ultralow-temperature benzene gas. We find that the in-plane π electronic nature and proper pore sizes in Cu−TCPP−Cu can selectively induce the adsorption and diffusion of BTEX. Interestingly, the theoretical calculations (including density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations) exhibit that benzene molecules are preferred to adsorb and array as a consecutive arrangement mode in the Cu− TCPP−Cu pore, while the TEX (toluene, ethylbenzene, xylene) dominate the jumping arrangement model. The differences in distribution behaviors can allow adsorption and diffusion of more benzene molecules within limited room. Furthermore, the optimal pore-depth range (60−65 nm) of Cu−TCPP−Cu allows more exposure of active sites and hinders the gas-blocking process. The optimized sensor exhibits ultrahigh sensitivity to benzene vapor (155 Hz/μg@1 ppm), fast response time (less than 10 s), extremely low limit of detection (65 ppb), and excellent selectivity (83%). Our research thus provides a fundamental understanding to design and optimize two-dimensional metal−organic framework (MOF)-based gas sensors.

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Selective BTEX detection using laser absorption spectroscopy in the CH bending mode region

Elkhazraji,

Sy,

Mhanna

et al. 2024

Experimental Thermal and Fluid Science

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Polymer–Plasticizer Coatings for BTEX Detection Using Quartz Crystal Microbalance

Cited by 6 publications

References 30 publications

Detection of Aromatic Hydrocarbons in Aqueous Solutions Using Quartz Tuning Fork Sensors Modified with Calix[4]arene Methoxy Ester Self-Assembled Monolayers: Experimental and Density Functional Theory Study

Detection of Aromatic Hydrocarbons in Aqueous Solutions Using Quartz Tuning Fork Sensors Modified with Calix[4]arene Methoxy Ester Self-Assembled Monolayers: Experimental and Density Functional Theory Study

Thermodynamically and Kinetically Enhanced Benzene Vapor Sensor Based on the Cu–TCPP–Cu MOF with Extremely Low Limit of Detection

Selective BTEX detection using laser absorption spectroscopy in the CH bending mode region

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