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All Journal International Journal of Renewable Energy Development Bulletin of Chemical Reaction Engineering & Catalysis
Hatmanto, Adhi Dwi
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Chemical Engineering, Chemistry & Bioengineering Chemistry Control & Systems Engineering Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering

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Journal : Bulletin of Chemical Reaction Engineering

 1 
Investigating the Structure of Defects in Heterometallic Zeolitic Imidazolate Frameworks ZIF-8(Zn/Cd) and Its Interaction with CO2 Using First-Principle Calculations Pambudi, Fajar Inggit; Sutarno, Sutarno; Hatmanto, Adhi Dwi; Patmawati, Mita; Utari, Tika Dwi
Bulletin of Chemical Reaction Engineering & Catalysis 2024: BCREC Volume 19 Issue 2 Year 2024 (August 2024)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.20136

Abstract

Inducing defect in metal-organic frameworks (MOFs) is one of the strategies to modify the structure and properties of this functional material. Defect may occur in a pristine MOF due to missing organic linkers, metal centres and/or other structural behaviours. In this study, the structure of defects in multicomponent MOFs especially heterometallic MOFs of zeolitic imidazolate framework (ZIF-8(Zn/Cd)) was examined to unveil the possible preference defect formation due to missing 2-methylimidazolate (MeIm) and metal centres of Cd2+ and Zn2+. Assuming defect formation due to the reaction between ZIF-8(Zn/Cd) and water, MeIm linker removal is energetically lower than removing metal centres of either Cd2+ or Zn2+. But, the MeIm linker is easier to be removed when it is connected to Cd2+ (Cd-MeIm-Cd) than when it is connected to Zn2+ (Zn-MeIm-Zn). Defect in ZIF-8(Zn/Cd) affects the band gap energy to give slightly lower value than it in pristine ZIF-8(Zn/Cd). Non-covalent interaction (NCI) and interaction region indicator (IRI) analyses were also performed to indicate possible intermolecular forces such as van der Waals and attractive forces present in non-defective and defective ZIF-8(Zn/Cd). The presence of defects in mixed-metal ZIF-8(Zn/Cd) was also tested for its potential use on CO2 adsorption. The interaction energy of CO2 inside defective ZIF-8(Zn/Cd) indicates an exothermic behaviour where CO2 molecule has a preference to be adsorbed inside the framework. This is especially when the capping agents at the defective ZIF-8(Zn/Cd) sites are removed to give open metal sites. This study provides insight how defects in multicomponent MOFs might presence affecting the structural and properties changes. Copyright © 2024 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 
Ultrasonic-Assisted Transesterification of Tripalmitin Using Limestone-Derived CaO Catalyst Nurdina, Rakhma Amalia; Kamiya, Yuichi; Hatmanto, Adhi Dwi; Pambudi, Fajar Inggit; Suyanta, Suyanta; Nuryono, Nuryono
Bulletin of Chemical Reaction Engineering & Catalysis 2025: BCREC Volume 20 Issue 4 Year 2025 (December 2025) (In Progress Issue)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.20456

Abstract

In producing palm oil-based biodiesel (fatty acid methyl esters) through the transesterification of triglycerides with methanol, a high-performance and straightforward catalyst is required. This research studies the synthesis and characterization of limestone-derived calcium oxide as a heterogeneous base catalyst for the transesterification of tripalmitin, a representation of palm oil triglycerides, with methanol to produce methyl palmitate. Limestone was calcined at 800 °C to produce CaO. The resulting catalyst was characterized using TGA, XRD, FTIR, SAA, and CO2-TPD. The catalytic performance was compared with that of commercial calcium oxide under optimal reaction conditions, namely 50 °C temperature, 60 min reaction time, and 30 mg catalyst mass. The results showed that limestone-derived CaO produced a higher yield (44.6%) than commercial CaO (32.3%). The kinetics study showed that the reaction followed a two-order pseudo-kinetic model with a reaction rate constant value of 0.1450 L mmol-1 min-1. Overall, limestone-derived CaO proved to be an effective, inexpensive, and environmentally friendly alternative catalyst in the production of triglyceride-based biodiesel. Furthermore, the modification of CaO to enhance the catalytic activity needs to be explored further. Copyright © 2025 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Co-Authors Christina Tefa, Yoan Nikita Indriana Kartini Kamiya, Yuichi Nurdina, Rakhma Amalia Nuryono Nuryono Pambudi, Fajar Inggit Patmawati, Mita Puspitaningrum, Indah Sri Juari Santosa Sutarno Sutarno Suyanta Suyanta Utari, Tika Dwi