41 research outputs found
THE DYNAMICS MOLECULER OF WATER MOLECULE ABSORPTION IN SILICATE ZEOLITE
Get PDFThe water molecule dynamics absorbed at silicalite zeolite was studied with
molecule dynamics technique using the computer. This paper reports the effect of temperature
on behavior of dynamic system. The result showed the improvement of diffusion coefficient and
diffusion activation energy along with the improvement of temperature. Improvement of
temperature cause the change of the contact distance of the water molecule in zeolite
molecule
Performance of Biocarbon based Electrodes for Electrochemical Capacitor
No full textAbstractWe examined bio-carbon electrodes-based electrochemical capacitor. The electrodes were produced from gelam wood activated carbon. Six types of carbon electrodes in separator – electrodes assemblies were tested using galvanostatic charging – discharging (GCD) and electrochemical impedance spectroscopy (EIS) instrumentation. Eight types of aqueous solution from acid, base and salt were used as electrolytes. Three of six electrodes were prepared from carbon pelletsand others were prepared from powdered carbons. Carbon pellets were shaped and sized into electrode monoliths, and therefore those pellets were becoming binder-less. The powdered carbon were compacted along with binder and surfactant into 20mm in diameter electrodes. The GCD and EIS measurements clearly indicated that both binderless and binderized carbon electrodes (CE) in electrochemical capacitor (EC) have 0.01 – 28 Fg-1 and 0.001 – 2.8 Fg-1 of specific capacitance, respectively. Performance tests of EC measured with EIS and GCD methods respectively have 0.001 – 0.15 F and 0.001 – 0.203 F of capacitance
Analyses of Non-bonding Length, Partial Atomics Charge and Electrostatic Energy from Molecular Dynamics Simulation of Phospholipase A2 – Substrate
Get PDFAbstract: This paper reports molecular dynamics simulation of phospholipase A2 (PLA2)– substrate that has been done. Non-bonding length, partial atomic charge and electrostatic energy were used to evaluation the interaction between PLA2 and substrate. The research was subjected for three types of PLA2 of different sources, i.e, homo sapien, bovinus and porcinus, by using computer files of their molecular structures. The files with code 3elo, 1bp2, dan 1y6o were downloaded from protein data bank. Substrate structure can be found in 1y60 and was separated from its enzyme structure and docked into two other PLA2 structures for simulation purpose. Molecular dynamics simulations were done for 30000 steps with constant in number of molecules, volume and temperature (NVT). The results showed the existing of flip-flop mechanism as basic feature of PLA2 – substrate reactions. Interaction length analysis results indicated the presence of water molecules on the structures of 1bp2 and 3elo at the time of the simulation was completed. The existence of aspagine at the reaction site confirmed the theory that this amino acid is responsible for the survival of the reaction. the electrostatic energy increased substantially in the interaction after homo sapien PLA2 (3elo) and Bovinus (1bp2) with the substrate. Inverse effect took place in the PLA porcinus (1y6o).Keywords: flip flop, inflammation, in-silico, simulation Abstrak (Indonesian): Telah dilakukan penelitian tentang simulasi dinamika molekuler pada Situs Reaksi Phospholipase A2 (PLA2) dengan substratnya. Analisis panjang non-ikatan, muatan atom parsial dan energi elektrostatis digunakan untuk menilai interaksi antara PLA2 dan substratnya. Penelitian dilakukan pada tiga jenis sumber PLA2, yaitu homo sapien, bovinus dan porcinus dengan menggunakan file komputer untuk struktur molekul dengan kode 3elo, 1bp2, dan 1y6o. Pada file 1y60 terdapat struktur substrat yang dapat ditemukan secara alamiah. Kedua file lainnya tidak mengandung struktur molekul substrat. Simulasi dinamika molekul dilakukan untuk 30.000 langkah dengan konstan dalam jumlah molekul, volume dan suhu (NVT). Hasil penelitian menunjukkan keberadaan mekanisme flip-flop sebagai fitur dasar reaksi PLA2 - substrat. Hasil analisis panjang interaksi menunjukkan bahwa kehadiran molekul air pada struktur 1bp2 dan 3elo pada saat simulasi dilakukan. Keberadaan aspagine di lokasi reaksi menegaskan teori bahwa asam amino ini bertanggung jawab untuk kelangsungan hidup reaksi. energi elektrostatik meningkat secara substansial dalam interaksi setelah homo sapien PLA2 (3elo) dan Bovinus (1bp2) dengan substrat. efek terbalik terjadi di porcinus PLA (1y6o).Kata kunci: flip flop, inflamasi, peradangan, in-silico, simulas
Simulasi Numerik Osilasi Bioluminesensi Kunang-Kunang
No full textPenelitian mengenai pola osilasi yang terjadi pada proses bioluminesensi dilakukan dengan menggunakan teknik simulasi numerik. Simulasi numerik diterapkan pada suatu model matematis yang merupakan satu set persamaan differensial kecepatan reaksi spesi kimia yang terlibat dalam reaksi dan merupakan hasil elusidasi dari mekanisme reaksi yang telah diusulkan oleh peneliti lain sebelumnya. Beberapa langkah operasi matematis diterapkan terhadap persamaan diferensial hingga dihasilkan diagram fase parameter. Diagram tersebut merupakan informasi mengenai berbagai kondisi dinamis sistem termasuk pola osilasi dan kestabilan sistem. Hasil pengamatan dari simulasi numerik model matematis yang ditemukan menunjukkan bahwa terdapat empat keadaan dinamis dengan dua pola osilasi yang terjadi pada proses ini, yaitu: osilasi teredam (damped oscillations), dan osilasi berkelanjutan (sustained oscillations) atau osilasi dengan siklus batas
Improving Students' Understanding of Energy Conservation through Training on Making Electrochemical Storage Devices
Get PDFThis paper reports the activities aimed at teachers and high school students in Lubuk Linggau, which went smoothly, interspersed with questions and answers. Demo and presentation, which are program activities, also run smoothly. The theme of community service activities is making a supercapacitor and battery and explaining the material used to make both energy storage devices. In addition, the team also presented basic knowledge about potentiostats and multimeters as test instruments related to electrochemistry. The activity went smoothly, interspersed with questions and answers—the demo and training have run smoothly. The theme of program activities includes the demo and training of preparing supercapacitor - batteries, explaining the materials - tools employed to make the energy storage devices. In addition, the team also presented basic knowledge about supercapacitors, batteries, potentiostats, and other tools related to electrochemistry. The activities of teachers and students at school took place very enthusiastically in receiving direction and counseling from the team. The enthusiasm can be seen in the active discussions between the team and members of these community groups. Group members feel the positive value of the activities carried out by the team. Generally, the team and participant can work out the ideas contained in the patent well. The team recommends some extended programs to propose, such as (a) similar activities should be carried out continuously to increase acknowledgment. (b) collaborating with others, and (c) developing online lab work.Tulisan ini melaporkan kegiatan yang ditujukan kepada guru dan siswa SMA di Lubuk Linggau, yang berjalan lancar, diselingi tanya jawab. Demo dan presentasi yang merupakan kegiatan program juga berjalan lancar. Kegiatan pengabdian masyarakat ini bertemakan pembuatan superkapasitor dan baterai serta menjelaskan bahan yang digunakan untuk membuat kedua alat penyimpan energi tersebut. Selain itu, tim juga mempresentasikan pengetahuan dasar tentang potensiostat dan multimeter sebagai alat uji yang berkaitan dengan elektrokimia. Kegiatan berjalan lancar, diselingi tanya jawab—demo dan pelatihan berjalan lancar. Tema kegiatan program meliputi demo dan pelatihan pembuatan superkapasitor - baterai, menjelaskan bahan - alat yang digunakan untuk membuat alat penyimpan energi. Selain itu juga disampaikan pengetahuan dasar tentang superkapasitor, baterai, potensiostat, dan bahan – alat lainnya yang berhubungan dengan elektrokimia. Kegiatan guru dan siswa di sekolah berlangsung sangat antusias dalam menerima arahan dan bimbingan dari tim. Antusiasme terlihat dari diskusi aktif antara tim dan anggota kelompok masyarakat tersebut. Anggota kelompok merasakan nilai positif dari kegiatan yang dilakukan oleh tim. Secara umum, ide-ide yang terkandung dalam paten dapat digarap dengan baik. Tim merekomendasikan beberapa program tambahan untuk diusulkan, seperti (a) kegiatan serupa harus dilakukan terus menerus untuk meningkatkan pengetahuan. (b) berkolaborasi dengan orang lain, (c) mengembangkan praktikum online
Binder-less activated carbon electrode from gelam wood for use in supercapacitors
Get PDFThis work focused on the relation between the porous structure of activated carbon and its capacitive properties. Three types of activated carbon monoliths were used as the electrodes in a half cell electrochemical system. One monolith was produced from activated carbon and considered to be a binder-less electrode. Two others were produced from acid and high pressure steam oxidized activated carbon. The micrographs clearly indicate that three electrodes have different porous structures. Both porosity and surface area of carbons increased due to the formation of grains during oxidation. This fact specified that an acid oxidized carbon monolith will have relatively higher capacitance compared to non-oxidized and steam oxidized monoliths. Maximum capacitance values for acid, steam oxidized and non-oxidized electrodes were 27.68, 2.23 and 1.20 F g-1, respectively
PERFORMANCE ANALYSIS OF LiVO3-Ion BATTERY WITH CARBON (Ipomoea Aquatica) AS ANODES
Get PDFThis research was conducted by utilizing water spinach which is found in swampy areas as new material for support in battery. Water spinach stems were separated used as carbon precursor. The carbon was prepared through hydrothermal and pyrolysis processes. The battery was constructed using the carbon anode and cathode from LiVO3. The LiVO3 was produced by using hydrothermal process of LiCl, V2O5, and NaOH in 200ºC 30 bar for 16 hours. The performance of the battery was evaluated using cyclic voltammetry and galvanostatic charging – discharging methods on potentiostat. The electrolyte used was LiCl in liquid or gel electrolyte with concentrations of 10%, 20% and 40%, respectively. The binders were used PU and melamine. Material characterization reveal that the carbon has crystaline phase, conductivity and pores which therefore carbon has the capability to be used as anode precursor. The evaluation of battery performance showed that the highest current value was found in battery with 40% LiCl of liquid electrolyte and polyurethabe binder, that is 0.22 A. The highest power 5.36 x   W, energy 1.80 x  Wh, and capacity ​8.94 x  F was found in battery with 40% LiCl of liquid electrolyte with binder PU.. The lowest battery discharge slope 0.0039 was found in 40% LiCl of liquid electrolyte with PU binder. These findings provides an alternative to the use of materials in Lithium ion batteries without compromising the performance of their application
Synthesis and Characterization of Amorphous TiO2 Anode Prepared by Anodizing Method for Na-ion Batteries
Get PDFSodium ion battery (SIB) has engage sustainable alternative on replacing lithium ion batteries. The lower potential and larger ionic value has demanded on seeking a potential anode materials. Amorphous TiO2 prepared by electrochemical anodisation technique has provide a suitablility as anode SIB materials, which approved by conducting XRD, FTIR, and SEM-EDX measurements. Electrochemical performance was tested with variations in the concentration of NaOCl4 electrolyte in propylene carbonate (PC) solvent. Diffractogram of TiO2 showed the only peaks of Ti was observed at 2θ = 40.34. The TiO2 IR spectrogram shows that the absorption band at 507 cm-1 is the peak of the vibration characteristics of the Ti-O bond and the peak of 975 cm-1 corresponds to Ti-O-Ti bond. SEM-EDX image analysis showed the morphology of TiO2 was smooth without pore with a ratio of Ti: O elemental composition of 1: 2. Voltammogram showed the anodes in 0.5 M NaOCl4 electrolyte in PC solvent has a good stability potential windows with the high current density 1.2 mA and the capacity of 0.037 F/
Analyses of Non-bonding Length, Partial Atomics Charge and Electrostatic Energy from Molecular Dynamics Simulation of Phospholipase A2 – Substrate
No full text
