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All Journal JURNAL PIJAR Jurnal Lembaga Penelitian Universitas Mataram Transformasi: Jurnal Pengabdian Masyarakat Jurnal Penelitian Pendidikan IPA (JPPIPA) ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry Jurnal Pengabdian Magister Pendidikan IPA Indonesian Physical Review Acta Chimica Asiana Jurnal Warta Desa (JWD) Prosiding Konferensi Nasional PKM-CSR Jurnal Pijar MIPA Jurnal Pepadu Jurnal Pendidikan dan Pengabdian Masyarakat Jurnal Pengabdian Inovasi Masyarakat Indonesia
Saprini Hamdiani
Department Of Chemistry, Faculty Of Mathematics And Natural Science, University Of Mataram, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Energy Environmental Science Materials Science & Nanotechnology Mathematics Nursing Physics Public Health Social Sciences Other

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Journal : ALCHEMY Jurnal Penelitian Kimia

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Theoretical Study on Corrosion Inhibition Properties of 2-Isopropyl-5-Methylphenol Saprizal Hadisaputra; Saprini Hamdiani; Eka Junaidi
ALCHEMY Jurnal Penelitian Kimia Vol 11, No 2 (2015): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.11.2.710.102-110

Abstract

Corrosion inhibitors of 2-isopropyl-5-methylphenol and its derivatives has been elucidated by means of density functional theory at B3LYP/6-31G(d) level of theory. Effect of electron donating and withdrawing groups such as NH2, SH, CHCH2, CH3, OH, CHO, COOH, F and NO2 on the corrosion inhibitor of 2-isopropyl-5-methylphenol derivatives also have been studied. The quantum chemical parameters such as the frontier orbital energies (EHOMO), ionization potential (I), electron affinity (A) and electronegativity (χ) are closely related to the corrosion inhibition efficiency (IE %) of 2-isopropyl-5-methylphenol derivatives. The presence of electron donating groups increase IE % values meanwhile electron with drawing groups reduce IE % values. The enhancement of IE % follows NO2 < CHO < COOH < SH < F < CH3 < CHCH2 < OH < NH2. Electron donating NH2 group gives 96.38 % of IE %, pure 2-isopropyl-5-methylphenol IE % = 82.70 %. In contrast, electron withdrawing NO2 group gives IE % only 68.66 %. This theoretical study would have a significantly contribution for accelerating corrosion inhibitor experimental to gain optimum results.
Co-Authors Afandi, Muhammad Rosyad Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Akram La Kilo Anshori, Mufid Apriani, Niza Yusnita Ariessaputra, Suthami Arisanti, Ivon Azzauri, Supyan Baiq Fadila Arlina Baiq Maysi Dwi Alvioni3 Bambang Rusdiarso Bambang Rusdiarso Bambang Rusdiarso Chen, Chang-Nan Dhony Hermanto Dina Asnawati Eka Junaidi Eko Sri Kunarti Elsa, Putri Emmy Yuanita Emmy Yuanita Faturrahman Febriansyah, Dimas Raga Ganesh Darmayanti Hidayatullah, M. Riski I Made Sudarma I MADE SUDARMA Indriyatno Iriando, Mahadi Muhammad Gunadharma Iwan Sumarlan Izzah, Bidayatul Jafar La Kilo Jannatin Arduha Jia-Yi Xu Lala Ghina Aulia Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lely Kurniawati Lely Kurniawati Made Ganesh Darmayanti Mamika Ujianita Romdhini Mamika Ujianita Romdhini, Mamika Ujianita Mariana, Baiq Marliadi Susanto Masloka, Michael Jonathan Maulida, Yunia Muhammad Arsyik Kurniawan Murniati . Nian-Yi Wu Nurul Ismilayli Nurul Ismilayli, Nurul Nurul Ismillayli Nuryono Nuryono Nuryono Nuryono Nuryono Nuryono Pahrudin, Pahrudin Pidia Aulia Prihatini, Putri Jauhar Putra, Danu Eka Rifia Wulandari Ruru Honiar Saprizal Hadisaputra Saputri, Dinar Suksmayu Saral Dwi Miftiyati Sari, Ayu Purnama Silva, Shelly Melsyan Siti Raudhatul Kamali Siti Raudhatul Kamali Sri Seno Handayani Sudirman Sudirman Sudirman Sudirman Surya Hadi Ting-Yuan Ou Trihandayani, Baiq Nisrina Ulul Khairi Zuryati Ulul Khairi Zuryati Wardani, Arifta Kusuma Wardian Antoni Wirahadi, Ahmad Yasa, I Komang Permana Yeng-Fong Shih