Journal of Applied Solution Chemistry and Modeling最新文献_第3页

Modeling of Synthesis of Aluminum Hydride via Binary Hydrides of Alkaline Earth Metals 碱土金属二元氢化物合成氢化铝的模拟

Journal of Applied Solution Chemistry and Modeling Pub Date : 2018-05-10 DOI: 10.6000/1929-5030.2018.07.02

U. Mirsaidov, M.Yu. Akramov, I. U. Mirsaidov, O. Azizov

引用次数: 0

Mathematical Models of Water and Solute Transport in Soil 土壤中水和溶质运移的数学模型

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-11-02 DOI: 10.6000/1929-5030.2017.06.03.2

A. Agah, P. Meire, E. Deckere

{"title":"Mathematical Models of Water and Solute Transport in Soil","authors":"A. Agah, P. Meire, E. Deckere","doi":"10.6000/1929-5030.2017.06.03.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.03.2","url":null,"abstract":"Improved understanding of water flow and solute transport through the unsaturated zone is important for the sustainable management of soils. As soils are complex and heterogeneous systems, quantification of the transport processes is difficult. More knowledge on the relationship between solute transport process, soil structure, hydrologic initial and boundary conditions, and observation scale is needed here.Modeling unsaturated flow and transport with mathematical or numerical methods is an important tool for predicting the infiltration and redistribution of soil water and the transport of solutes in the unsaturated zone. Flow and transport models are commonly used to support the decision making process in agricultural management, environmental impact assessment, toxic waste control, remediation design, and subsurface cleanup monitoring. The movement of contaminants through porou media describs by the combination of advection, diffusion-dispersion and chemical retardation. The most common model that describes solute transport by convection and dispersion is the convection-dispersion equation (CDE). This equation describes the change in concentration at any point along the flow path as a function of time. This paper is mainly dedicated to a discussion of basic processes for modelling of water flow and contaminant transport in saturated and unsaturated soils. After a brief description of the classical approach for simulating water flow and solute transport in porous media, issues related to water and solute trasport equation in soil.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"4 1","pages":"98-104"},"PeriodicalIF":0.0,"publicationDate":"2017-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82797352","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: 1

Can MP(P)4 Compounds Form Complexes with C60 MP(P)4化合物能与C60形成配合物吗

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-11-02 DOI: 10.6000/1929-5030.2017.06.03.1

A. Kuznetsov

{"title":"Can MP(P)4 Compounds Form Complexes with C60","authors":"A. Kuznetsov","doi":"10.6000/1929-5030.2017.06.03.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.03.1","url":null,"abstract":"Numerous complexes between versatile derivatives of metalloporphyrins MP (with M being Mn, Co, Ni, Cu, Zn and Fe) and C 60 have been synthesized and characterized recently. Favorable van der Waals attractions between the curved p-surface of the fullerene and the planar p-surface of MP assist in the supramolecular recognition, overcoming the necessity of matching a concave-shaped host with a convex-shaped guest structure. Recently, we reported the computational studies of the structures and electronic properties of the series of metalloporphyrins where all the four pyrrole nitrogen atoms are replaced with P-atoms, MP(P) 4 , M = Sc-Zn. Motivated by the numerous examples of the complex formation between regular planar or quasi-planar MP and C 60 , we computationally investigated possibility of the complex formation between two MP(P) 4 species, ZnP(P) 4 and NiP(P) 4 , and C 60 without any linkers, using the CAM-B3LYP/6-31G* approach, both in the gas phase and with implicit effects from C 6 H 6 . We found that the binding energies in the MP(P) 4 -C 60 complexes for these two MP(P) 4 compounds are relatively low, ca. 1-1.6 kcal/mol and ca. 5 kcal/mol for M = Zn and Ni, respectively. The ZnP(P) 4 species was found to be noticeably distorted in the ZnP(P) 4 -C 60 complex whereas NiP(P) 4 inside the NiP(P) 4 -C 60 complex essentially retained its bowl-like shape. Thus, we showed the possibility of the formation of complexes between MP(P) 4 species and C 60 without any linkers and showed dependence of the complex stability on the transition metal M. Further investigations are in progress.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"51 1","pages":"91-97"},"PeriodicalIF":0.0,"publicationDate":"2017-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90940004","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: 8

Adsorption of Rare Earth Elements (REEs) onto Activated Carbon Modified with Potassium Permanganate (KMnO4) 高锰酸钾改性活性炭吸附稀土元素的研究

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-06-17 DOI: 10.6000/1929-5030.2017.06.02.1

N. Kano, Meiling Pang, Yan-Guo Deng, H. Imaizumi

{"title":"Adsorption of Rare Earth Elements (REEs) onto Activated Carbon Modified with Potassium Permanganate (KMnO4)","authors":"N. Kano, Meiling Pang, Yan-Guo Deng, H. Imaizumi","doi":"10.6000/1929-5030.2017.06.02.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.1","url":null,"abstract":"The adsorption capacity of activated carbon modified with potassium permanganate (KMnO 4 ) for rare earth elements (REEs) from aqueous solution was investigated. The modified activated carbon was characterized by SEM (scanning electron microscopy), FT-IR (Fourier transform infrared spectrometer), and N 2 adsorption-desorption tests. Adsorption experiments from aqueous solutions containing known amounts of some REEs (i.e. La, Lu, Yb, Eu, Y, Sc) onto the carbon were explored in a batch system. The amount of REEs adsorbed at different pH values, initial concentrations, and contact times were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES) in order to determine the optimum conditions for REEs adsorption. The adsorption of REEs on the activated carbon was well fitted by the Langmuir isothermal adsorption equation. The rates of adsorption were found to conform to pseudo-second order kinetic. These results present the modified activated carbon as an efficient adsorbent for REEs, hence creating new avenues for the treatment of industrial waste waters including pollutants. It is very significant information from the viewpoint of environmental protection.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"63 1","pages":"51-61"},"PeriodicalIF":0.0,"publicationDate":"2017-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87079498","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: 14

The Existence of Two Types of Colloidal Solutions of Molecules Fullerene C60 富勒烯C60分子两类胶体溶液的存在性

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-06-16 DOI: 10.6000/1929-5030.2017.06.02.2

D. Schur, S. Zaginaichenko, T. Veziroglu, A. Veziroğlu, M. Gabdullin

引用次数: 0

Degradation of Toxic Indigo Carmine Dye by Electrosynthesized Ferrate (VI) 电合成高铁酸盐降解有毒靛蓝胭脂红染料

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-06-16 DOI: 10.6000/1929-5030.2017.06.02.3

S. Barışçı, H. Inan, O. Turkay, A. Dimoglo, D. Erol

引用次数: 4

A Preliminary Study on the Removal of Methylene Blue from Aqueous Solution using Moringa Pods as Bioadsorbent under Column Operation 柱操作下辣木荚为生物吸附剂去除水溶液中亚甲基蓝的初步研究

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-06-16 DOI: 10.6000/1929-5030.2017.06.02.4

Mirla Rodríguez, S. Flores, Alexandra Argotte

{"title":"A Preliminary Study on the Removal of Methylene Blue from Aqueous Solution using Moringa Pods as Bioadsorbent under Column Operation","authors":"Mirla Rodríguez, S. Flores, Alexandra Argotte","doi":"10.6000/1929-5030.2017.06.02.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.4","url":null,"abstract":"Moringa pods (MP) was used as bioadsorbent to remove methylene blue (MB) from aqueous solutions under fixed-bed column operation. The bioadsorbent was analyzed by Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). Surface area (Brunauer-Emmet-Teller) and point of zero charge (pH PZC ) were determined. In this study, pH influence (2.0 to 10.0) was evaluated, keeping constant conditions of bed height (11.0 cm), bioadsorbent dose (2.0 g), dye concentration (20 mg L -1 ), volume (25 mL), contact time (24 h) and room temperature. The MB concentration was determined using UV-spectrophotometry at 662 nm. The results showed that the adsorption was pH dependent. The highest dye removal occurs at pH 7.0 ( Eœ 100%). Infrared spectrum and morphological changes observed by SEM indicate the existence of bioadsorption phenomenon. An adsorption mechanism possible by intermolecular interactions was proposed. The study revealed the applicability of MP for removal of MB at low cost, efficient, eco-friendly and relatively neutral pH.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"6 1","pages":"84-90"},"PeriodicalIF":0.0,"publicationDate":"2017-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81132764","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

Enhanced Eosin Mineralization in Presence of Au(III) Ions in Aqueous Solutions Containing TiO2 as Suspension 以TiO2为悬浮液的水溶液中Au(III)离子的存在增强了伊红矿化

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-04-01 DOI: 10.6000/1929-5030.2017.06.01.3

G. Dey, P. Singh

引用次数: 1

Multiplexing in Multi-Reflecting TOF MS 多反射TOF质谱中的多路复用

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-03-01 DOI: 10.6000/1929-5030.2017.06.01.1

A. Verenchikov, S. Kirillov, Yury Khasin, Vasily Makarov, M. Yavor, V. Artaev

引用次数: 8

Synthesis and Computational Investigations of Ruthenium(II) Complexes Containing Hydrazine Schiff Base Ligands 含肼席夫碱钌配合物的合成与计算研究

Journal of Applied Solution Chemistry and Modeling Pub Date : 2017-03-01 DOI: 10.6000/1929-5030.2017.06.01.4

S. Kamalesu, K. Swarnalatha, R. Subramanian

引用次数: 2