Sains Malaysiana 51(3)(2022): 747-756

http://doi.org/10.17576/jsm-2022-5103-09

Feasibility of Hydrogen Production from Cellulose and Prediction of the Product Distribution: Thermodynamics Analysis

(Kebolehlaksanaan Pengeluaran Hidrogen daripada Selulosa dan Ramalan Pengedaran Produk: Analisis Termodinamik)

DIDI DWI ANGGORO^1,*_, WIRDA UDAIBAH^1,2, AJI PRASETYANINGRUM¹ & ZAKI YAMANI ZAKARIA³

¹Department of Chemical Engineering, Faculty of Engineering, Diponegoro University, 50275, Semarang, Central Java, Indonesia

  ²Department of Chemistry, Faculty of Science and Technology, UIN Walisongo, 50185, Semarang, Central Java, Indonesia

³School of Chemical Engineering, Faculty of Chemical & Energy Engineering, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor, Malaysia

Received: 10 March 2021/Accepted: 13 August 2021

Abstract

High carbon emissions, depleting fossil energy reserves have become a global problem. It is necessary to develop renewable energy sources that are environmentally friendly. Hydrogen (H₂) is one of the energy sources and carriers that can be developed. This gas can be produced from renewable, sustainable, and economical resource such as biomass that contains cellulose as the main ingredient. This thermodynamic analysis of H₂ production from cellulose is necessary as a theoretical study to determine the feasibility of the reaction. The computational thermodynamic was analyzed using Microsoft Excel 2019 and Matlab Program R2013a. Prediction of the equilibrium composition of the substances involved in the reaction was attempted by minimization Gibbs free energy change with Lagrange undetermined multipliers methods. As a result, the value of ΔH_r⁰; ΔS_r⁰ and ΔG_r⁰ are +624,7500 kJ/mol; +2,1491 kJ/mol.K and; -26,1540 kJ/mol, respectively. Analysis of equilibrium constant of this conversion has a large ln K value (> 1). A negative ΔG_r⁰ value and large ln K indicates that the formation of H₂ from (C₆H₁₀O₅)n is plausible and feasible and reaction product formation is strongly favored at equilibrium. The composition of the substances involved at 298 K from the largest to the smallest is CH₄ (4.5 mol), H₂O (3 mol), CO₂ (1.5 mol), H₂ (1.28×10^-5 mol), HCOOH (5.85×10^-10 mol), C₆H₁₂O₆ (3.72×10^-10 mol) and C₆H₁₂O₅ (1.35×10^-10 mol). Interestingly, H₂ yield will rise significantly with the increase of reaction temperature. This preliminary study provides an overview of reaction conditions so that H₂ production from biomass can be produced maximally.

Keywords: Biomass; hydrogen; Lagrange multiplier; thermodynamic

Abstrak

Pelepasan karbon yang tinggi dan penurunan simpanan tenaga fosil telah menjadi masalah global. Oleh kerana itu, sumber tenaga boleh diperbaharui yang mesra alam perlu dibangunkan. Hidrogen (H₂) adalah salah satu sumber tenaga dan pembawa tenaga yang dapat dikembangkan. Gas diatomik ini dapat dihasilkan daripada sumber yang boleh diperbaharui, lestari dan murah seperti biojisim yang mengandungi selulosa sebagai bahan utama. Analisis termodinamik bagi penghasilan H₂ daripada selulosa diperlukan sebagai kajian teori untuk menentukan kebarangkalian tindak balas menggunakan kaedah perkiraan. Termodinamik komputasi dianalisis menggunakan Microsoft Excel 2016 dan Matlab Program R2013a. Ramalan komposisi keseimbangan bahan yang terlibat dalam percubaan tindak balas dengan meminimumkan perubahan tenaga bebas Gibbs dengan kaedah pengganda tidak ditentukan Lagrange. Hasilnya, nilai ΔH_r⁰; ΔS_r⁰ dan ΔG_r⁰ masing-masing adalah +624,7500 kJ/mol; +2,1491 kJ/mol.K dan -26,1540 kJ/mol. Analisis pemalar keseimbangan penukaran ini mempunyai nilai ln K yang besar (> 1). Nilai ΔG_r⁰ negatif dan ln K besar menunjukkan bahawa pembentukan H₂ daripada (C₆H₁₀O₅)n munasabah dan boleh dilaksanakan dan pembentukan produk reaksi cenderung terhasil pada titik keseimbangan. Komposisi produk yang terlibat pada suhu 298 K dari yang terbesar hingga yang terkecil adalah CH₄ (4.5 mol), H₂O (3 mol), CO₂ (1.5 mol), H₂ (1.28×10^-5 mol), HCOOH (5.85×10^-10 mol), C₆H₁₂O₆ (3.72×10^-10 mol) dan C₆H₁₂O₅ (1.35×10^-10 mol). Menariknya, pembentukan H₂ meningkat dengan ketara seiring dengan peningkatan suhu tindak balas. Kajian teoritis awal ini memberikan gambaran umum dan pertimbangan keadaan reaksi sehingga produksi H₂ daripada biojisim dapat dihasilkan secara maksimum.

Kata kunci: Biojisim; hidrogen; pengganda Lagrange; termodinamik

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^*Corresponding author; email: dididwianggoro@lecturer.undip.ac.id