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    JSM Chemistry

    JSM Chemistry

    Journal

    年发文量

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    论文(56)

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    1Inhibitory Effect of Stachytarpheta Mutabilis Extracts on the Corrosion of Mild Steel in Acidic Media
    Bassey, Ikpi ME

    The anticorrosive potential of Stachytarpheta mutabilis leaf extract (SMLE) as a corrosion inhibitor for corrosion of mild steel (MS) in 1 M HCl was investigated using weight loss measurement as well as gasometric techniques at 30 and 60 oc. Relevant thermodynamic equations were employed to estimate the activation energy, enthalpy change and entropy change. The adsorption isotherms were used to determine the Gibbs free energy change. Results obtained showed that SMLE functioned as an excellent corrosion inhibitor for mild steel in the acidic environment. Temperature studies revealed a decrease in inhibition efficiency with increase in temperature and activation energies increased in the presence of the extract. The adsorption of SMLE on mild steel was approximated using Freundlich, Flory-Huggins, Frumkin, El-Awary’s and Temkin isotherms but Langmuir gave the best fit. Both kinetic and thermodynamic parameters governing the adsorption process were calculated and discussed. The adsorption followed a first order kinetics. As concluded from the results, the adsorption of S. mutabilis on mild steel in 1M HCl medium is feasible, spontaneous and it occurred by physical adsorption. From the experimental results obtained, it can be concluded that SMLE inhibit corrosion effectively when compared well with many reported green inhibitors for MS corrosion.

    2023
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    2In Memoriam: Jean-Pierre E. Grolier (1936–2022)
    Wilhelm Emmerich

    France, after fighting valiantly, for more than 2 years, against a rare neuromuscular disorder.His wife Geneviève and their two

    2022引用:3
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    3Finding Potential Replacements for TRI Solvents Using the Environmental Impact of the Average Solvent
    Harten Paul,Martin Todd,Chang Daniel,Young Douglas

    A solvent has many different types of impact on the environment. This article describes a method that combines several different types of impacts together into one environmental index so that similar solvents may be compared by their cumulative impact to the environment. The software tool PARIS III (Program for Assisting the Replacement of Industrial Solvents III) initially finds thousands of solvents mixtures with behaviors as close as possible to those of the original solvent entered. The overall environmental impacts of these solvent mixtures are estimated and assigned to environmental indexes. Users of the software tool can then choose replacements for the original solvent with similar activities but with significantly smaller environmental indexes. These solvent mixtures may act as practical substitutes for the industrial solvents but substantially reduce the overall environmental impact of the original harmful solvents. Potential replacements like this are found for three of the U.S. Environmental Protection Agency's Toxic Release Inventory solvents, carbon tetrachloride, toluene, and N-methylpyrrolidone.

    2022引用:2
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    4Predicting Solubility of Newly-Approved Drugs (2016–2020) with a Simple ABSOLV and GSE(Flexible-Acceptor) Consensus Model Outperforming Random Forest Regression
    Avdeef Alex,Kansy Manfred

    This study applies the ‘Flexible-Acceptor’ variant of the General Solubility Equation, GSE(Φ,B), to the prediction of the aqueous intrinsic solubility, log10 S0, of FDA recently-approved (2016–2020) ‘small-molecule’ new molecular entities (NMEs). The novel equation had been shown to predict the solubility of drugs beyond Lipinski’s ‘Rule of 5’ chemical space (bRo5) to a precision nearly matching that of the Random Forest Regression (RFR) machine learning method. Since then, it was found that the GSE(Φ,B) appears to work well not only for bRo5 NMEs, but also for Ro5 drugs. To put context to GSE(Φ,B), Yalkowsky’s GSE(classic), Abraham’s ABSOLV, and Breiman’s RFR models were also applied to predict log10 S0 of 72 newly-approve NMEs, for which useable reported solubility values could be accessed (nearly 60% from FDA New Drug Application published reports). Except for GSE (classic), the prediction models were retrained with an enlarged version of the Wiki-pS0 database (nearly 400 added log10 S0 entries since our recent previous study). Thus, these four models were further validated by the additional independent solubility measurements which the newly-approved drugs introduced. The prediction methods ranked RFR ~ GSE (Φ,B) > ABSOLV > GSE (classic) in performance. It was further demonstrated that the biases generated in the four separate models could be nearly eliminated in a consensus model based on the average of just two of the methods: GSE (Φ,B) and ABSOLV. The resulting consensus prediction equation is simple in form and can be easily incorporated into spreadsheet calculations. Even more significant, it slightly outperformed the RFR method.

    2022引用:28
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    5Ferric Chloride Complexes in Aqueous Solution: an EXAFS Study
    Ingmar Persson

    A series of concentrated aqueous solutions of ferric chloride with different chloride:iron(III) ratios has been studied by means of EXAFS to determine the structure around the iron(III) ion of the dominating species in such solutions. The dominating species in dilute acidic aqueous solution of ferric chloride, at less than 1 mmol·dm−3, are the hydrated iron(III) and chloride ions, while in concentrated aqueous solution and in solutions with an excess of chloride ions, up to 1.0 mol·dm−3, it is the trans-[FeCl2(H2O)4]+ complex. Possible higher chloroferrate(III) or dimeric [Fe2Cl6] complexes at room temperature, as proposed in the literature, were not observed in any of the studied solutions in spite of an excess of chloride ions of 1 mol·dm−3.

    2018引用:57
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    高被引作者

    作者引用发文
    Urszula Maria Domańska Żelazna1583
    Bronisław Jańczuk1403
    Anna Zdziennicka1403
    JoÃo Manuel Costa AraÚjo Pereira Coutinho1372
    Pedro Carvalho1372
    Mara Guadalupe Freire Martins1372
    Marta Królikowska1362
    Arijit Bhattacharjee1261
    Ingmar Persson743
    Chodzińska Aleksandra741

    高产作者

    作者引用发文
    Bronisław Jańczuk1403
    Urszula Maria Domańska Żelazna1583
    Anna Zdziennicka1403
    Ingmar Persson743
    Lakshmi N. Roy202
    Tsujito Masahiko182
    Pedro Carvalho1372
    Rabindra Roy202
    Marta Królikowska1362
    Chandra N. Roy202

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