Theoretical and Experimental Investigation of Carbon Monoxide, Humidity and Temperature Relations in Zonguldak Province of Turkey

Abstract

The sensor monitoring of ambient carbon monoxide (CO) which was mainly emitted by the coal mines and power plants was performed in the center of Zonguldak province of Turkey. It was observed that the recorded amount of CO (ppm) highly depended on the amount of humidity (H2O) percent and temperature. The sensor monitored higher CO values at higher temperatures accompanied with lower humidity percent whereas lower CO values at lower temperatures accompanied with higher humidity percent. Consequently, OC…Wn (W: H2O) (n = 1-3) long-range (hydrogen-bonding) interactions were modelled computationally using MP2/6-311++G(d,p) level of theory at selected temperatures. The calculated interaction Gibbs free energies and performed reactivity and stability analyses supported the possibility of carbon monoxide and humidity interactions at lower temperatures with higher humidity percent in parallel with the experimental results. It was concluded that the system presented in this study might be integrated into CO sensor units to improve the sensor response in terms of accuracy and precision.

Keywords

• carbon monoxide
• humidity
• sensor monitoring
• computational modeling
• MP2

Türkiye Zonguldak İlinde Karbon Monoksit-Nem-Sıcaklık İlişkisinin Sensörle İzlenmesi ve Hesaplamalı Olarak Modellenmesi

Abstract

Esas olarak kömür madenleri ve enerji santralleri tarafından yayılan karbon monoksitinin (CO) sensörlü izlemesi Türkiye'nin Zonguldak il merkezinde gerçekleştirilmiştir. Kaydedilen CO (ppm) miktarının büyük ölçüde nem (H2O) yüzdesine ve sıcaklığa bağlı olduğu gözlemlenmiştir. Yüksek sıcaklıklarda ve düşük nem yüzdelerinde yüksek CO miktarları ölçülürken, düşük sıcaklıklarda ve daha yüksek nem yüzdelerinde daha düşük CO seviyeleri ölçülmüştür. Buna bağlı olarak, OC… Wn (W: H2O) (n = 1-3) şeklindeki uzak etkileşimler, seçilen sıcaklıklarda ve MP2/6-311++G(d,p) teori seviyesi kullanılarak hesaplamalı olarak modellenmiştir. Hesaplanan etkileşim Gibbs serbest enerjileri ve gerçekleştirilen reaktivite ve stabilite analizleri, deney sonuçlarına paralel olarak, düşük sıcaklıklarda ve yüksek nem oranlarında karbon monoksit-nem etkileşimleri olasılığını desteklemiştir. Bu çalışmada sunulan sistemin, sensör değerlerini doğruluk ve kesinlik açısından iyileştirmek için, CO sensör ünitelerine entegre edilebileceği sonucuna varılmıştır.

Keywords

• karbon monoksit
• nem
• sensörlü izleme
• hesaplamalı modelleme
• MP2

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