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All Journal International Journal of Electrical and Computer Engineering International Journal of Power Electronics and Drive Systems (IJPEDS) JURNAL KIMIA SAINS DAN APLIKASI Indonesian Journal of Electrical Engineering and Informatics (IJEEI) JURNAL PIJAR Jurnal Lembaga Penelitian Universitas Mataram Transformasi: Jurnal Pengabdian Masyarakat Jurnal Tadris Kimiya Jurnal Penelitian Pendidikan IPA (JPPIPA) ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry IJCER (International Journal of Chemistry Education Research) Biosaintifika: Journal of Biology & Biology Education Jurnal Pengabdian Magister Pendidikan IPA Jurnal Pengabdian Masyarakat Sains Indonesia (Indonesian Journal Of Science Community Services) Chemistry Education Practice Jurnal Ilmiah Profesi Pendidikan Acta Chimica Asiana Journal of Classroom Action Research Jurnal Inovasi Pendidikan dan Sains Jurnal Inovasi Pembelajaran Kimia (Journal Of Innovation in Chemistry Education) Jurnal Ilmiah Abdi Mas TPB Unram Jurnal Teknologi Pendidikan : Jurnal Penelitian dan Pengembangan Pembelajaran Unram Journal of Community Service (UJCS) Journal of Science and Science Education (JoSSEd) Jurnal Pijar MIPA Prisma Sains: Jurnal Pengkajian Ilmu dan Pembelajaran Matematika dan IPA IKIP Mataram Makara Journal of Science Jurnal Pendidikan dan Pengabdian Masyarakat Jurnal Pengabdian Inovasi Masyarakat Indonesia Molekul: Jurnal Ilmiah Kimia Jurnal Pendidikan Progresif
Saprizal Hadisaputra
Chemistry Education Division, Faculty Of Teacher Training And Education, University Of Mataram, Jl. Majapahit No. 62, Mataram, 83125, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Neuroscience Physics Public Health Social Sciences Other

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Journal : Indonesian Journal of Chemistry

 1 
Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures Saprizal Hadisaputra; Lorenz R Canaval; Harno Dwi Pranowo; Ria Armunanto
Indonesian Journal of Chemistry Vol 14, No 2 (2014)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (576.723 KB) | DOI: 10.22146/ijc.21259

Abstract

The roles of counterions, solvent types and extraction temperatures on the selectivity of 18-crown-6 (L) toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X = Cl-, NO3-) have been studied by density functional method at B3LYP level of theory in gas and solvent phase. In gas phase, the chloride anion Cl- is the preference counterion than nitrate anion NO3-. This result is confirmed by the interaction energies, the second order interaction energies, charge transfers, energy difference between HOMO-LUMO and electrostatic potential maps. The presence of solvent reversed the gas phase trend. It is found that NO3- is the preference counterion in solvent phase. The calculated free energies demonstrate that the solvent types strongly change the strength of the complex formation. The free energies are exothermic in polar solvent while for the non polar solvent the free energies are endothermic. As the temperature changes the free energies also vary where the higher the temperatures the lower the free energy values. The calculated free energies are correlated well with the experimental stability constants. This theoretical study would have a strong contribution in planning the experimental conditions in terms of the preference counterions, solvent types and optimum extraction temperatures.
EXTRACTION OF STRONTIUM(II) BY CROWN ETHER: INSIGHTS FROM DENSITY FUNCTIONAL CALCULATION Saprizal Hadisaputra; Harno Dwi Pranowo; Ria Armunanto
Indonesian Journal of Chemistry Vol 12, No 3 (2012)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (740.602 KB) | DOI: 10.22146/ijc.21332

Abstract

The structures, energetic and thermodynamic parameters of crown ethers with different cavity size, electron donating/withdrawing substituent groups and donor atoms have been determined with density functional method at B3LYP level of theory in gas and solvent phase. Small core quasi-relativistic effective core potentials was used together with the accompanying SDD basis set for Sr2+ and DZP basis set was used for crown ether atoms. Natural bond orbital (NBO) analysis was evaluated to characterize the distribution of electrons on the complexes. The interaction energy is well correlated with the values of Strontium charge after complexation, the second order interaction energies (E2) and HOMO-LUMO energy gab (∆Egab). The interaction energy and thermodynamics parameters in gas phase are reduced in solvent phase as the solvent molecules weaken the metal-crown ether interaction. The thermodynamic parameters indicated that less feasibility to extract Sr2+ ion directly from pure water without presence of organic solvent. The theoretical values of extraction energy for Sr(NO3)2 salt from aqueous solution in different organic solvent is validated by the experimental trend. This study would have strong contribution in planning the experiments to the design of specific host ligand and screening of solvent for extraction of metal ion.
Influence of Macrocyclic Ring Size on the Corrosion Inhibition Efficiency of Dibenzo Crown Ether: A Density Functional Study Saprizal Hadisaputra; Saprini Hamdiani; Muhammad Arsyik Kurniawan; Nuryono Nuryono
Indonesian Journal of Chemistry Vol 17, No 3 (2017)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (516.07 KB) | DOI: 10.22146/ijc.26667

Abstract

The effect of macrocycle ring size on the corrosion inhibition efficiency of dibenzo-12-crown-4 (DB12C4), dibenzo-15-crown-5 (DB15C5), dibenzo-18-crown-6 (DB18C6), dibenzo-21-crown-7 (DB21C7) and dibenzo-24-crown-8 (DB24C8) have been elucidated by mean of density functional calculation at B3LYP/6-31G(d) level of theory in the gas and aqueous environment. The quantum chemical parameters including the frontier orbital energies (EHOMO, ELUMO), ionization potential (I), electron affinity (A), the absolute electronegativity (χ), hardness (η), softness (σ), and the fraction of electron transferred (ΔN) are positively correlated to the corrosion inhibition efficiency (IE%) of the studied crown ethers. The calculation results indicate that DB24C8 exhibits the highest corrosion inhibition efficiency, whereas DB12C4 exhibits the lowest corrosion inhibition efficiency. The results of this study will contribute to design crown ethers potential as corrosion inhibitors.
Copper Corrosion Protection by 4-Hydrocoumarin Derivatives: Insight from Density Functional Theory, Ab Initio, and Monte Carlo Simulation Studies Saprizal Hadisaputra; Agus Abhi Purwoko; Saprini Hamdiani
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.69530

Abstract

The corrosion inhibition performance of 4-hydrocoumarin derivatives has been studied using weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization, and electrochemical frequency modulation techniques. However, experimental studies have not explained why the methoxy (OCH3) group contributes more to the increase in corrosion inhibition than the methyl (CH3) and chlorine (Cl) functional groups. In this theoretical study, the electronic aspect of the target corrosion inhibitors will be studied in detail to help strengthen the explanation in the experimental research. Density functional theory, ab initio, and Monte Carlo simulations have been used to analyze the corrosion inhibition performance of 4 curcumin derivatives against copper. The quantum chemistry approach is carried out under gas and aqueous conditions in neutral and protonated inhibitors. The Monte Carlo simulation was used to observe the dynamics and the mechanism of inhibition of the target molecule on the copper surface. The quantum chemistry approach can mimic the geometrical parameters of molecular inhibitors. It can also explain electronically why the OCH3 functional group is superior to other substituents. The adsorption energy of the 4-hydroquinone derivative is linearly correlated with the reported experimental study. The level of corrosion inhibition efficiency is OCH3 > CH3 > H > Cl.
Co-Authors 'Ardhuha, Jannatin A. Wahab Jufri Abdul Jihad Abdul Syukur Adawiah, Rabiatun Afandi, Muhammad Rosyad Agil Al Idrus Agil Al Idrus Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Dwi Ananto, Agus Agus Ramdani Agus Ramdani Agus Ramdani Agus Ramdani Agus Ramdani Ahmad Abdan Syukron Ahmad Fudholi Ainun Jariah Alamsyah Mustika Wardani Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aminah Aminah Anggia Muawwadatul Audini Anshori, Mufid Ariessaputra, Suthami Aris Doyan Aris Doyan Aris Doyan Arisanti, Ivon Arliani, Baiq Sopian Ashyar, Mochammad Asman Ardiyansyah Asni Asni Astini, Baiq Nilawati Atmanegara, Lalu Kusnendar Ayu Rizki Mujiyanti Azzauri, Supyan Bahtiar Bahtiar Baiq Dian Arianingsih Baiq Fara Dwirani Sofia Baiq Fara Dwirani Sofia Baiq Fara Dwirani Sofia Baiq Fara Dwiriani Sofia Baiq Maysi Dwi Alvioni3 Baiq Nila Sari Ningsih Baiq Sari Supriantini Bq. Dea Gustina Wandari Burhanuddin Burhanuddin Burhanuddin Burhanuddin Burhanuddin Chomsa Asih Lestari Cok Istri Wulandari Dadi Setiadi Dhony Hermanto Dina Asnawati Dini Handayani Disa, Raka Rangga Duha Hardiyanti Awalia Dwi Laksmiwati Dwi Laksmiwati Dwi Rizki Syaufitri Dwi Wahyudiati Dwiki Meila Rosa Eka Junaedi Eka Junaidi Elmawati Elmi Royani Elsa, Putri Emmy Yuanita Emmy Yuanita Erfanny, Anjelina Erich Efendi Mahesa Ermia Hidayanti Etty Nurul Wahidah Evie Kama Lestari Fanfiana, Rieke Oktavia Farah Dhiyah Alfini Sarnyoto Farid Wajdi Farizal, Reza Febriansyah, Dimas Raga G. Gunawan, G. Galuh Pratiwi, Dian Gilang Hasim Gito Hadiprayitno Gunawan Gunawan Gunawan Gunawan Hamidsyukrie Hamidsyukrie Hamidsyukrie, Hamidsyukrie Handa Muliasari Hardani, H Harno Dwi Pranowo Harno Dwi Pranowo Hasna Hasna Hasnawati Hasnawati Helita Sefitri Dechayantari Hidayatullah, M. Riski Hidayatussani Hidayatussani I Gede Karunia Soenarko I Gede Karunia Soenarko I Nyoman loka Ida Ayu Putu Armyani Ihsan, Muhammad Shohibul Ihwani, Baiq Alfifatul Ilham Kurniawan Ilham Syahrul Jiwandono Iliana, Hezi Septi Imam Rustandi Indah Febriani Indriyatno Ismi, Baiq Robi’atul Iwan Sumarlan Izzah, Bidayatul Jamaluddin Jamaluddin Jamaluddin Jamaluddin Jannatin 'Ardhuha Jannatin Ardhuha JANNATIN ARDHUHA, JANNATIN Jannatin Arduha Jannatin ‘Ardhuha Jazera Alfani Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jono Irawan Jono Irawan Jono Irawan Jono Irawan Jufrizal Syahri Juni Kartini Kukuh Waseso Jati Pangestu L. Rudyat Telly Savalas Lalu Adian Gifari Lalu Kusnendar Atmanegara Lalu Muhaimi Lalu Muhamad Ali Zakaria Lalu Muhamad Ali Zakaria Lalu Muliyadi Lalu Muliyadi Lalu Randa Hazri Ramdani Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas LALU RUDYAT TELLY SAVALAS Lalu Rudyat Telly Savalas Lalu Sumardi Lalu Syauki MS Lalu Zulkifli Lalu Zulkifli Lestari, Chomsa Asih Lia, Zulfa Aulia Hasni Lidya Hasmaningsih Lorenz R Canaval M. Najamudin Nopriadi Mahrus Mahrus Maria Ulfa Masloka, Michael Jonathan Maulida Septiyana Maulida, Yunia Maya Indahsari Minasari Minasari Mochammad Ashyar Moh. Ridho Imam Alfarizi Muh. Makhrus Muhammad Arsyik Kurniawan Muhammad Dhani Ardha Muhammad Hanafi Muhammad Haris Effendi Hasibuan Muhammad Khaerul Anam Muhammad Ridwan Rafsanjani Muhammad Rusdi Muhammad Shohibul Ihsan Muhammad Taufik Muhammad Taufik Muhammad Yustiqvar Muhammad Yustiqvar Muhammad Zohri Muhammad Zohri Muhammad Zohri Muhammad Zuhdi Muhlis Muhlis Mukhtar Haris Mukhtar Haris Mukhtar Haris Muntari Muntari Muntari Muntari Muntari Muntari Muntari Muntari Muti’ah Muti’ah Muti’ah Muti’ah Muzalli Andrean Nabila Widiawati Ni Kadek Mai Sasmita Wardani Ni Made Yeni Suranti Ni Nyoman Sri Putu Verawati Niken Rizky Johana Niko Prasetyo Nina Nisrina Nishfiya Ramdoniati Nita Wardani Nur Aini Fitri Nurkomalasari Nurkomalasari Nursafitri, Atmi Izzah Nurul Fitri Nuryono Nuryono Pahrudin, Pahrudin Prapti Sedijani Prapti Sedijani Prapti Sedijani PRAPTI SEDIJANI, PRAPTI Prasetyo, Niko Putra, Danu Eka Putri Martina Lianti QUDRATUDDARSI, HILMAN Qurratul Aima R. Rahmawati Rabiatun Adawiah Rabiatun Adawiah Rachmawati Rachmawati Radayatun Hasanah Rahman, Baiq Adila Pratiwi Rahmawati Rahmawati Rahmawati Rahmawati Raihanun, Siti Rara Nabilla Arieno Rassyi, Sultan Fakhrur Rayandra Asyhar Rekasawiji, Spir Senyum Restu Hidayanti Ria Armunanto Ria Armunanto Ria Duana Saptia Rinjani, Nazla Putri Riska Dia Sapitri Risma Pramudia Ningtyas Rizky Jasahuldia Rohana Sopiati Rosita Wati Rostika Rostika Roy Setiadi Safrina Azaria Rahman Salmanto Salmanto Samsul Hadi Sanjangi Ailillah Saprini Hamdiani Saptia, Ria Duana Sekar Wangi Sha-Ling Han Silva, Shelly Melsyan Siti Nurhaslinda Siti Nurul Yaqutu Burhani Siti Rabiatul Adawiyah Siti Raihanun Siti Raudhatul Kamali Siti Soleha Sofia, Baiq Fara Dwirani Sofia, Baiq Fara Dwiriani Sopia Novitasari Sopiati, Rohana Sudirman Sudirman Suhubdy Suhubdy Sunniarti Ariani Supriadi Supriadi Supriadi Susilawati Susilawati - Suslawati Susilawati Syafruddin Syafruddin Syahrial Ayub Syahrial Ayub Syahrial Ayub, Syahrial Syamsul Hakim Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al-Idrus Thoyibah, Zurriyatun Tri Dharmayani, Ni Komang Tri Haryati Tri Mei Elita Trihandayani, Baiq Nisrina Ulviana Ulviana Ulviana, Ulviana ulyanur khairunnufus Wahidah, Etty Nurul Wahyu Ibnistnaini Wardani, Arifta Kusuma waridatun nisa Wildan Wildan Wildan Wildan Wildan Wildan Yasa, I Komang Permana Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yayuk Andayani Yulia Rahmah Yunita Arian Sani Anwar YUNITA ARIAN SANI ANWAR Yusni, Wahyudi Zohrul Iskandar Zulandri Zulandri Zulfan Hatami Zulkarnain Zulkarnain