Indonesian Journal of Chemical Science and Technology (IJCST)最新文献_第8页

Review of Adsorption of Fe Metal by Activated Carbon Adsorbent 活性炭吸附金属铁的研究进展

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27600

Fakta Ideal Zega, R. Selly, M. Zubir

引用次数: 1

Effect of Differences of HCl Concentration on the Reaction of Chlorine Gas and Acetylene Gas In Clothing Liquids and Floor Cleaning Liquids 盐酸浓度差异对衣物液和地板清洁液中氯气和乙炔气反应的影响

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27596

Salsabila Tambunan, M. N. Sari, L. M. Nasution, S. Rahmah, N. Nurfajriani

引用次数: 2

Comparison Of Acetic Acid With As Formiic Acid Latex Pump Material 醋酸与甲酸乳胶泵材料的比较

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27593

Rudi Munzirwan

引用次数: 2

Study Of Energy And Structure On Intermolecular Interactions In Organic Solvents Using Computational Chemistry Method 用计算化学方法研究有机溶剂分子间相互作用的能量和结构

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27601

Nuraisah Malau, A. Nugraha

{"title":"Study Of Energy And Structure On Intermolecular Interactions In Organic Solvents Using Computational Chemistry Method","authors":"Nuraisah Malau, A. Nugraha","doi":"10.24114/ijcst.v4i2.27601","DOIUrl":"https://doi.org/10.24114/ijcst.v4i2.27601","url":null,"abstract":"This study aims to determine the amount of energy, the difference in energy, the relationship between the amount of energy and the distance between compounds, and the interactions that occur in organic solvent molecules using computational chemistry methods. In determining the amount of energy and interactions that occur, computational chemistry calculations are used using NWChem software version 6.6 with the DFT method with the B3LYP hybrid function/basis set 6-31G, the calculation results are visualized using Jmol software. The results of calculations with large computations of energy for benzene are -230.62447487 KJ/mol, ethanol -154.01322923 KJ/mol, methanol -114.98816558 KJ/mol, hexane are -235.27001385 KJ/mol. Mixture of benzene and ethanol in a ratio of 1 : 1 -384.63823964 KJ/mol, 1 : 2 538.66009762 KJ/mol , and 2 : 1 - 615.26607558 KJ/mol. A mixture of benzene and methanol in a ratio of 1 : 1 -345.61255299 KJ/mol, 1 : 2 - 460.60826254 KJ/mol, and 2 : 1 -576.24044425 KJ/mol, a mixture of hexane and ethanol in a ratio of 1 : 1 - 389.28477268 KJ/mol, 1 : 2 -543.29869234 KJ/mol and 2 : 1 -624.55723290 KJ/mol. A mixture of hexane and methanol at a ratio of 1 : 1 -350.25984691 KJ/mol, 1 : 2 -465.26041654 KJ/mol and 2 : 1 -585.53373886 KJ/mole. The difference in energy is the most in a mixture of benzene and ethanol in a ratio of 1 : 2 -0.00916429 K /mol, in a mixture of benzene and methanol in a ratio of 1 : 2 - 0.00745651 KJ/mol, a mixture of hexane and ethanol in a ratio of 2 : 1 -0.00397597 KJ/mol, and a mixture of hexane and methanol in a ratio of 1 : 2 - 0.01407153 KJ/mol. and there is no relationship between the magnitude of the interaction energy of the mixture with the distance between the molecules.","PeriodicalId":13519,"journal":{"name":"Indonesian Journal of Chemical Science and Technology (IJCST)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77054053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determining the Most Stable Structure of Benzamided Derivatives Using Density Functional Theory (DFT) 用密度泛函理论(DFT)确定苯酰胺类衍生物的最稳定结构

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27594

Cinthia Uly Hotnami Sinaga, A. Nugraha

{"title":"Determining the Most Stable Structure of Benzamided Derivatives Using Density Functional Theory (DFT)","authors":"Cinthia Uly Hotnami Sinaga, A. Nugraha","doi":"10.24114/ijcst.v4i2.27594","DOIUrl":"https://doi.org/10.24114/ijcst.v4i2.27594","url":null,"abstract":"This study aims to determine the energy change ∆E and determine the most stable compound based on computation results using the Density Functional Theory (DFT) method. In determining the energy change ∆E and determining the most stable compound, computational chemical calculations were used using NWChem version 6.6 software with the DFT method with the B3LYP / 3-21G base set hybrid function, the results of the calculations were visualized using the Jmol software. The results of computational calculations on the compound Benzamide is 57467.3632844735 kJ / mol, (4 - chlorocarbonyl - benzial) - pyridine acid carbamics - 3 - ilmetyl ester is 641022.0125237265 kJ / mol, (4- phenylcarbamil benzyl) - pyridine acid carbamic - 3 - ilmetyl ester of 491144.0953277345 kJ / mol, [4- (2-nitro - phenyl carbamoyl) - benzyl] - pyridine acid carboxy - 3 - ilmetyl ester of 1031145,366027853 kJ / mol while for [4 - 2 (amino - phenyl carbamyl) - benzyl) - carboxylic acid - 3 - ilmetyl ester of -1034711.17423932 kJ / mol. Based on these data it can be concluded that [4 - 2 (amino - phenyl carbamyl) - benzyl) - carboxylic acid - 3 - ilmetyl ester is the most stable compound formed because of its lowest price (exothermic)","PeriodicalId":13519,"journal":{"name":"Indonesian Journal of Chemical Science and Technology (IJCST)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80663189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Effect of Sambung Nyawa Leaf Extract (Gynura procumbens (Lour.) Merr.) on Hemoglobin of Rats Induced by Escherichia coli Bacteria 三峰Nyawa叶提取物的药效研究大肠杆菌对大鼠血红蛋白的影响

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27603

Asnad Gulo, P. M. Silitonga

引用次数: 2

Utilization of Betadine as an Indicator of the Presence of Vitamin C (Ascorbic Acid) In Fruits and Vegetables 利用Betadine作为果蔬中维生素C(抗坏血酸)存在的指标

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27595

Tariza Humaira Tembusai, Annisa Tri Banoeari, R. Siahaan

引用次数: 0

Electric Energy Potential from Pineapples and Potatoes 菠萝和土豆的电势

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2021-08-23 DOI: 10.24114/ijcst.v4i2.27597

Atikah Nur Syahirah, R. Cahyati

引用次数: 0

Production of Activated Carbon from Natural Sources for Water Purification 天然活性炭在水净化中的应用

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2020-08-13 DOI: 10.24114/IJCST.V3I2.19531

R. A. F. Lubis, H. Nasution, M. Zubir

引用次数: 9

Preparation of Coconut Milk as Dandruff Removal 椰奶去屑的制备

Indonesian Journal of Chemical Science and Technology (IJCST) Pub Date : 2020-06-05 DOI: 10.24114/IJCST.V3I1.18313

M. Damanik, H. Nasution, R. Selly, M. Zubir

{"title":"Preparation of Coconut Milk as Dandruff Removal","authors":"M. Damanik, H. Nasution, R. Selly, M. Zubir","doi":"10.24114/IJCST.V3I1.18313","DOIUrl":"https://doi.org/10.24114/IJCST.V3I1.18313","url":null,"abstract":"Coconut milk is a thick white liquid extracted from coconut produced from shredded coconut and then squeezed with water. Coconut milk is an ingredient produced from processed old coconut. Coconut milk can be used as food preparations or as herbal beauty ingredients. One of the advantages of coconut milk in the field of beauty is that it is very effective as a dandruff remover. By using old coconut milk as a dandruff remover we can get amazing results with natural ingredients without spending a lot of money. Coconut milk has many contents such as water content, protein and fat which are quite high as well as cow's milk. Coconut milk is rich in vitamins C, B, B-6, thiamine, niacin, folate, a number of minerals (calcium, magnesium, iron and phosphorus). Pure coconut milk only contains 54 percent water, 35 percent fat and 11 percent nonfat solids (approximately 6 percent carbohydrates, less than 4 percent protein and other solids) which are categorized as emulsions of oil in water. Coconut milk is known to be effective in eliminating dandruff, because coconut milk contains coconut oil containing Vitramin E and fatty acids that can eliminate and eradicate dandruff. You do this by using coconut oil as a massage oil to massage the scalp.","PeriodicalId":13519,"journal":{"name":"Indonesian Journal of Chemical Science and Technology (IJCST)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91220127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0