Analisis Pengaruh Suhu Reaksi HNO3 dan Fe terhadap Adsorpsi Atom O pada Atom Fe(110) dengan Metode Dinamika Molekuler

Scientika, Qory Cipta (2020) Analisis Pengaruh Suhu Reaksi HNO3 dan Fe terhadap Adsorpsi Atom O pada Atom Fe(110) dengan Metode Dinamika Molekuler. Undergraduate thesis, Institut Teknologi Sepuluh Nopember.

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Abstract

Kasus korosi yang sering terjadi adalah ketika material Fe bereaksi degan asam nitrat. Jika disederhanakan reaksi antar senyawa tersebut akan menghasilkan Fe dan O. Karena salah satu tahap awal korosi adalah terjadinya adsorpsi, maka dalam penelitian ini akan dilakukan analisis pengaruh suhu reaksi terhadap adsorpsi atom O pada permukaan Fe(110). Salah satu metode untuk menentukan proses adsorpsi yang terjadi pada logam adalah dengan menggunakan metode dinamuka molekuler. Dinamika molekular merupakan suatu teknik yang digunakan untuk mengamati pergerakan molekul yang saling berinteraksi dalam skala atomik. Penelitian ini akan mensimulasikan proses adsorpsi O pada Fe(110) pada kondisi suhu yang berbeda, yaitu pada suhu 293 K, 313 K, dan 333 K. Inisasi kondisi lainnya adalah dtom O diposisikan didaerah long bridge dengan ketinggian zO setinggi 1,0 Å dan 1,15Å diatas permukaan Fe. Hasil dari simulasi adsorpsi atom O pada Fe(110) menunjukkan bahwa energi adsorpsi terkecil dihasilkan pada suhu 313 K dengan zO 1,15 Å sebesar -2,436 eV. Energi adsorpsi terbesar dihasilkan pada suhu 293K saat zO 1,0 Å sebesar -4.172 eV. ======================================================================================================================== Corrosion is an electrochemical process which comprises of anodic and cathodic reactions. In which, the anodic reaction is affected by the material factors, whereas the cathodic reaction is influenced by the environmental ones. The presence of nitric acid causes corrosion of stainless steel is therefore can be regarded as cathodic reaction. To simplify this, the theoretical study using approximation of O adsorption on Fe (110) was employed. The adsorption process was simulated by using the molecular dynamic method. Molecular dynamics is a technique used to observe the movement of molecules that interact with each other at the atomic scale. This research will simulate the O adsorption process at Fe (110) at different temperature conditions, namely at temperatures 293 K, 313 K, and 333 K to mimic the dew point of HNO3 from combustion gas. Atom O was positioned in the long bridge area with zO distances of 1.0 Å and 1.15Å above the surface of Fe. The results showed that the smallest adsorption energy was generated at 313 K for zO = 1,15 Å i.e.-2,436 eV. The biggest adsorption energy was produced at 293K for zO = 1,0 Å i.e. -4,172 eV.

Item Type: Thesis (Undergraduate)
Uncontrolled Keywords: adsorpsi, besi, oksigen, dinamika molekuler, adsorption, iron, oxygen, molecular dynamic
Subjects: Q Science
Q Science > QC Physics > QC162 Adsorption and absorption
T Technology > TA Engineering (General). Civil engineering (General) > TA418.74 Corrosion and anti-corrosives
Divisions: Faculty of Industrial Technology and Systems Engineering (INDSYS) > Physics Engineering > 30201-(S1) Undergraduate Thesis
Depositing User: Qory Cipta Scientika
Date Deposited: 28 Aug 2020 02:17
Last Modified: 01 Sep 2020 07:40
URI: http://repository.its.ac.id/id/eprint/81469

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