Studi Perilaku Fase CO2 dalam Media Berpori Menggunakan Modifikasi Peng-Robinson EOS untuk Teknologi Geological CO2 Storage (GCS)

Qouli, Ferdiansyah Iqbil (2026) Studi Perilaku Fase CO2 dalam Media Berpori Menggunakan Modifikasi Peng-Robinson EOS untuk Teknologi Geological CO2 Storage (GCS). Masters thesis, Institut Teknologi Sepuluh Nopember.

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Abstract

Penyimpanan karbon dioksida secara geologis (Geological CO₂ Storage, GCS) merupakan teknologi penting dalam mitigasi perubahan iklim dan pencapaian target net zero emissions. Pada kedalaman reservoir, CO₂ berada pada kondisi superkritis dan berinteraksi langsung dengan media berpori berukuran mikro hingga nano. Dalam kondisi tersebut, asumsi fluida curah (bulk fluid) pada persamaan keadaan konvensional menjadi kurang akurat akibat adanya efek adsorpsi, konfinemen nanopori, serta interaksi fluida–dinding pori. Oleh karena itu, diperlukan pendekatan termodinamika yang mampu merepresentasikan fenomena tersebut secara lebih realistis. Penelitian ini bertujuan mengkaji perilaku fasa dan sifat termodinamika CO₂ dalam media berpori melalui pengembangan modifikasi persamaan keadaan Peng–Robinson (PR-EOS). Modifikasi dilakukan dengan memasukkan tiga mekanisme utama, yaitu efek adsorpsi, model nanopori, serta interaksi fluida–dinding melalui parameter koefisien interaksi dan energi potensial. Analisis dilakukan pada sistem satu komponen CO₂ murni pada kondisi tekanan 100–200 bar dan temperatur 50–70 °C. Parameter yang dianalisis meliputi faktor kompresibilitas (Z), koefisien fugasitas, fugasitas, serta prediksi tekanan model (P_model), yang kemudian divalidasi terhadap data literatur yang telah dipublikasikan dalam literatur. Validasi model dilakukan melalui perbandingan nilai tekanan literatur (P_exp) dan tekanan hasil perhitungan (P_model) menggunakan indikator deviasi rata-rata absolut (%ARD). Hasil validasi menunjukkan bahwa PR-EOS konvensional menghasilkan %ARD sebesar 4,76%. Penerapan modifikasi berbasis efek adsorpsi mampu menurunkan deviasi secara signifikan menjadi 2,38%. Hasil tersebut menunjukkan bahwa pendekatan modifikasi PR-EOS, khususnya yang mempertimbangkan efek adsorpsi dan kombinasi nanopore model dengan interaksi fluida–dinding, mampu meningkatkan akurasi prediksi tekanan secara signifikan dibandingkan PR-EOS asli. Temuan ini menegaskan pentingnya memasukkan efek konfinemen dan adsorpsi dalam pemodelan termodinamika CO₂ di media berpori.
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Geological carbon dioxide (CO₂) storage (GCS) is a key technology for climate change mitigation and the achievement of net-zero emission targets. At reservoir depths, CO₂ exists under supercritical conditions and directly interacts with porous media at micro- to nanometer scales. Under such conditions, the bulk-fluid assumptions commonly adopted in conventional equations of state become inadequate due to the presence of adsorption effects, nanopore confinement, and fluid–wall interactions. Therefore, a more representative thermodynamic approach is required to accurately describe the behavior of CO₂ in confined porous systems. This study aims to investigate the phase behavior and thermodynamic properties of CO₂ in porous media through the development of a modified Peng–Robinson equation of state (PR-EOS). The modification incorporates three primary mechanisms: adsorption effects, nanopore confinement models, and fluid–wall interactions represented by interaction coefficients and potential energy parameters. The analysis focuses on a single-component system of pure CO₂ under high-pressure conditions (100–200 bar) and supercritical temperatures (50–70 °C). The evaluated parameters include compressibility factor (Z), fugacity coefficient, fugacity, molar volume, and predicted model pressure (P_model), which are validated against experimental data. Model validation was performed by comparing experimental pressure data (P_exp) with calculated model pressures (P_model) using the Average Relative Deviation (%ARD) as the performance indicator. The original PR-EOS produced an %ARD of 4,76%. Incorporating adsorption effects significantly improved the prediction accuracy, reducing the %ARD to 2,38%. These results demonstrate that the modified PR-EOS, particularly the models incorporating adsorption effects and the combination of nanopore confinement with fluid–wall interactions, significantly enhance pressure prediction accuracy compared to the conventional PR-EOS. The findings highlight the necessity of accounting for confinement and adsorption effects in thermodynamic modeling of CO₂ in nanoporous media. This study provides a more reliable thermodynamic basis for analyzing CO₂ injection and storage in tight porous reservoirs and contributes to the development of predictive models for Geological CO₂ Storage applications and other confined-fluid systems.

Item Type:	Thesis (Masters)
Uncontrolled Keywords:	Karbon dioksida, Adsorpsi, Penyimpanan karbon, Persamaan keadaan, Media berpori, Carbon dioxide, Adsorption, Carbon storage, Equation of state, Porous medium
Subjects:	T Technology > TP Chemical technology > TP155.7 Chemical processes. T Technology > TP Chemical technology > TP692.5 Oil and gasoline handling and storage
Divisions:	Faculty of Industrial Technology and Systems Engineering (INDSYS) > Chemical Engineering > 24101-(S2) Master Thesis
Depositing User:	Ferdiansyah Iqbil Qouli
Date Deposited:	04 Feb 2026 06:00
Last Modified:	04 Feb 2026 06:00
URI:	http://repository.its.ac.id/id/eprint/131202

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