Schiff bazı ince film sensörlerinin tolüen buharına karşı adsorpsiyon dinamiklerinin Elovich modeli ile analizi

Öz

Bu çalışmanın temel amacı, Schiff bazı bileşiklerini kullanarak canlı organizmalara zarar veren tolüen buharının tespit edilmesidir. Bu araştırmada, ince filmler şeklinde hazırlanan Schiff bazı bileşiklerinin tolüen buharına karşı sensör olarak kullanılıp kullanılamayacağını belirlemek ve etkileşim sırasındaki adsorpsiyon dinamiklerini incelemek amaçlandı. Spin kaplama metodu ile ince filmler üretildi. Bu filmlerin tolüen ile etkileşimleri hesapsal olarak moleküler mekanik2 (MM2) ve yoğunluk fonksiyonel teori (DFT) yöntemleri ile incelendi; ayrıca sensör ölçümleri yüzey plazmon rezonans tekniği kullanılarak gerçekleştirildi. Sensör ölçümlerinde -NH- grubunun sensör performansına katkı sağladığı gözlenmiştir. Elovich modeli kullanılarak adsorpsiyon hızı (a), Elovich sabiti (b) ve korelasyon katsayısını (R2) hesapları için, üç döngü olacak şekilde ortalama değerleri alındı. DMPABA maddesi için (a: 601,38 ppm/mm2, b: 0,2228 mm2 s/ppm ve R2:0,864) ve DMPHBA maddesinde ise (a: 1134,11 ppm/mm2, b: 0,0824 mm2 s/ppm ve R2:0,937) şeklinde hesaplandı.

Anahtar Kelimeler

• Schiff baz
• yoğunluk fonksiyonel teori
• spin kaplama
• yüzey plazmon rezonans
• Elovich modeli
• tolüen buhar sensörü

Analysis of adsorption dynamics of schiff-base thin-film sensors against toluene vapor using the Elovich model

Öz

The primary objective of this study was to detect toluene vapor, which is detrimental to living organisms, using Schiff base compounds. This investigation aimed to determine whether Schiff base compounds prepared in thin films could be used as sensors against toluene vapor and to study the adsorption dynamics during the interaction. Thin films were produced using the spin coating method. The interactions of these films with toluene were investigated computationally using Molecular Mechanics2 (MM2) and density functional theory (DFT) methods; additionally, sensor measurements were performed using surface plasmon resonance technique. In the sensor measurements, it was observed that the -NH- molecular group contributed to the sensor performance. Adsorption parameters, adsorption rate (a), Elovich constant (b), and correlation coefficient (R²) were calculated using the Elovich model, with average values taken over three cycles. For DMPABA, these values were calculated as (a: 601.38 ppm/mm², b: 0.2228 mm² s/ppm, and R²: 0.864), and for DMPHBA, as (a: 1134.11 ppm/mm², b: 0.0824 mm² s/ppm, and R²: 0.937).

Anahtar Kelimeler

• Schiff base
• density functional theory
• spin coating
• surface plasmon resonance
• Elovich model
• toluene vapor sensor

Kaynakça

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