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All Journal VALENSI Amina
Ledyastuti, Mia
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Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry

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SIMULASI DINAMIKA MOLEKUL FENOMENA ADSORPSI DI-(2-ETILHEKSIL)FTALAT (DEHP) PADA MINERAL MONTMORILONIT Umma, Reza Roisatul; Zulfikar, Muhammad Ali; Ledyastuti, Mia
AMINA Vol 2 No 3 (2020): December 2020
Publisher : Department of Chemistry, Faculty of Science and Technology, UIN Ar-Raniry

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22373/amina.v2i3.1424

Abstract

Senyawa di(2-etilheksil) ftalat (DEHP) merupakan salah satu polutan yang ditetapkan oleh European Union (EU) dan World Health Organization (WHO) ke dalam daftar polutan utama dan dianggap paling bermasalah bagi kesehatan manusia yaitu dapat menimbulkan gangguan sistem endokrin, sistem saraf, dan hepatotoksik. DEHP digunakan sebagai plasticizer terutama pada polivinil klorida (PVC) yang hampir 50% mengandung DEHP. Senyawa DEHP tidak terikat secara kovalen dengan produknya sehingga mudah terlepas dari produk dan dapat memasuki lingkungan bebas. Jumlah DEHP di lingkungan bebas perlu dikendalikan dan salah satu metode yang sederhana dan efektif adalah adsorpsi. Pada penelitian ini dilakukan adsorpsi dengan pendekatan molekuler, yaitu simulasi dinamika molekul menggunakan perangkat lunak GROMACS. Penelitian ini bertujuan untuk membandingkan adsorpsi DEHP pada montmorilonit dan montmorilonit termodifikasi BDED atau CTMA yang kemudian disebut sebagai organo-montmorilonit, serta menentukan kondisi optimum sistem adsorpsi DEHP. Berdasarkan hasil simulasi, konsentrasi awal (C0) DEHP 0,044 mol/L menghasilkan adsorpsi maksimum yaitu sebanyak 3 molekul DEHP teradsorpsi (77,5%). Saat C0 DEHP dinaikkan menjadi 0,088 mol/L, tidak ada molekul DEHP yang teradsorpsi pada permukaan MMT. Sementara itu, pada MMT (1 lapis) termodifikasi BDED dengan jumlah molekul BDED 0,24 KTK, persentase adsorpsi mengalami peningkatan menjadi 44%. Hal ini menunjukkan bahwa penambahan surfaktan kationik berhasil meningkatkan persentase adsorpsi DEHP.
The Potential of Nanocellulose Acetate as Surfactant for Water-Vegetable Oil Systems Ibrahim, Ikhsan; Ledyastuti, Mia
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 9, No. 1, May 2023
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v9i1.29467

Abstract

Indonesia, as an agricultural country, has a variety of abundant plants. Cellulose is a component in plants that can be modified to increase its economic value. Resizing cellulose to nanocellulose and modification of nanocellulose to nanocellulose acetate can increase its potential as a surfactant. Resizing cellulose can be done using the strong acid hydrolysis method. An acetic anhydride reagent was utilized to convert the surface hydroxyl functional group into acetyl. The successful production and modification of nanocellulose were confirmed using fourier transform infrared and particle size analysis characterization. The infrared absorption spectrum of cellulose and nanocellulose showed no difference in peaks. Particle size distribution showed that nanocellulose I (CNC I) and nanocellulose II (CNC II) has sizes of 142 nm and 319 nm, respectively. The property of nanocellulose molecules in an oil-water system was simulated using molecular dynamics with GROMACS 2020.6 software. Appropriate trends can be seen in the interfacial tension of water-vegetable oil systems. The value of interfacial tension decreases with the addition of nanocellulose acetate compared to the addition of nanocellulose. With the agreement between the experimental and computational results, nanocellulose acetate can act as a surfactant.
Co-Authors Ikhsan Ibrahim Muhammad Ali Zulfikar Umma, Reza Roisatul