Studi Dinamika Molekul Terhadap Hidrat Metana Tipe MH-IV
DOI:
https://doi.org/10.26418/pf.v9i3.51256Abstract
Dinamika hidrat metana tipe MH-IV pada berbagai kondisi termodinamika telah diteliti menggunakan metode dinamika molekul. Hidrat metana dikondisikan pada suhu 250 K dan tekanan 40 GPa, 70 GPa, 100 GPa, 140 GPa dan 150 GPa. Berdasarkan hasil perhitungan energi sistem, sistem hidrat yang disimulasi belum sepenuhnya mendekati hasil eksperimen yang ingin direplika. Fungsi distribusi radial dari sistem yang disimulasi menunjukkan pengaruh signifikan tekanan terhadap jarak koordinasi antar molekul penyusun hidrat. Sistem terlihat mengalami deformasi seiring dengan pertambahan tekanan. Beberapa bagian dari sistem terlihat mengalami deformasi yang diikuti dengan pemutusan ikatan hidrogen antar molekul air. Hal tersebut mengakibatkan sistem tidak lagi memiliki struktur kristal es seperti kondisi awal. Perubahan struktur yang dialami menyebabkan probabilitas molekul metana untuk berdifusi ke void baru menjadi semakin besar. Peningkatan tekanan yang diaplikasikan pada sistem menyebabkan kerusakan struktur semakin meluas yang diikuti dengan meningkatnya koefisien difusi molekul gas metana.
Kata Kunci : Hidrat Metana MH-IV, Dinamika Molekul
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Date: 24-05-2023
Prisma Fisika
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