SIMULASI DINAMIKA MOLEKUL FENOMENA ADSORPSI DI-(2-ETILHEKSIL)FTALAT (DEHP) PADA MINERAL MONTMORILONIT

Reza Roisatul Umma; Muhammad Ali Zulfikar; Mia Ledyastuti

doi:10.22373/amina.v2i3.1424

Authors

Reza Roisatul Umma a:1:{s:5:"en_US";s:31:"Bandung Institute of Technology";}
Muhammad Ali Zulfikar Institut Teknologi Bandung
Mia Ledyastuti Institut Teknologi Bandung

DOI:

https://doi.org/10.22373/amina.v2i3.1424

Keywords:

Adsorpsi, DEHP, Organo-montmorilonit, Simulasi Dinamika Molekul

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.

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