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Settling and spreading behaviour of particle clusters in quiescent liquids in confined vessels

Particuology 2023年第12期83卷 91-100页

作者： Sayan Pal Amol A.Kulkarni Chemical Engineering&Process Development Division CSIR-National Chemical LaboratoryPune411008India Academy of Scientific and Innovative Research(AcSIR) Ghaziabad 201002India University College London Torrington PlaceLondonWC1E 7JEUK

Here we report experiments on particle cluster settling at high Reynolds number in quiescent liquid contained in a *** particles were observed to spread at the vessel bottom surface in a near-circular annular shape after settling irrespective of the shape of the vessel cross-section and particle shape,size,and *** of different parameters such as mass,type and aspect ratio of the particles,height,and viscosity of liquid was investigated on spreading *** of the hemispherical bottom cap of the cluster that bounces upon hitting the vessel bottom surface was found to be responsible for the final circular annular shape of the settled *** leakage from the cluster was seen in the form of a *** the liquid having viscosity beyond 100 cP,cluster breakage was observed that resulted in hindered settling and asymmetric shapes of finally settled *** observations are useful to understand the overall area over which settling and spreading of such clusters can be observed.

关键词： Particle cluster Temporal evolution Settling Spreading

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Biomass-derived adsorbents and nanocomposites for wastewater treatment

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Materials Today: Proceedings 2023年 90卷 18-29页

作者： Kshirsagar D. Thanekar P. Balapure K. Bhandari V.M. Chemical Engineering and Process Development Division CSIR-National Chemical Laboratory Pune 411008 India

Newer biomass-derived adsorbents were developed from green pods of Cassia fistula apart from further nano-metal (Cu, Fe oxide, Ni) and acid modifications. The adsorbents were characterized by FE-SEM, HR-TEM, Powder XRD, BET and FTIR analysis. Removal studies on two different dyes, Malachite green and Congo red, revealed a very high adsorption capacity for the removal of malachite green dye, ∼1355 mg/g for Cu-nanocomposite, 661 mg/g for Fe-nanocomposite and 456 mg/g for unmodified adsorbent; also an order of magnitude, 2000% higher than the reported commercial carbon adsorbents. The results clearly highlight utility of bio-nanocomposites for wastewater treatment and dye removal. © 2023

关键词： Adsorption Dye removal Effluent treatment Nanomaterial Pollution control

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Binderless low silica X zeolite for methane separation from binary CO2/CH4 biogas stream: A comprehensive experimental and computational study

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Journal of Industrial and engineering Chemistry 2025年 149卷 705-719页

作者： Yadav, Tushar R. Shrotri, Aadesh R. Kate, Pranjali N. Devasia, George Niphadkar, Prashant S. Mali, Nilesh A. Krishnamurty, Sailaja Bokade, Vijay V. Nandanwar, Sachin U. Catalysis and Inorganic Chemistry Division CSIR-National Chemical Laboratory Pune411 008 India Physical and Materials Chemistry Division CSIR-National Chemical Laboratory Pune411 008 India Chemical Engineering & Process Development Division CSIR-National Chemical Laboratory Pune411 008 India Ghaziabad201 002 India

This study presents the synthesis of binderless Na-LSX (B-Na-LSX) and binderless NaK-LSX (B-NaK-LSX). XRD, SEM, EDS, and N2 physisorption were used for characterization of samples. Computational modelling of prepared sorbent was performed for the fundamental understanding of zeolite topology and adsorption behaviour. The breakthrough experiments are used to evaluate the adsorption capacities on CO2/CH4 (40/60 vol%) binary biogas stream. The results were compared with commercial Na-LSX (C-Na-LSX). The breakthrough adsorption capacity of B-Na-LSX was 3.08 mmol g−1 and 0.29 mmol g−1 of CO2 and CH4, respectively, at 300 K and 1 bar. CO2 sorption capacity of B-Na-LSX was ∼11 % and ∼17 % higher than B-NaK-LSX (2.77 mmol g−1) and C-Na-LSX (2.56 mmol g−1), respectively. DFT study reveals that the higher adsorption of CO2 over CH4 was attributed to higher charge transfer from CO2 to zeolite framework. Dual-bed six-step Pressure Swing Adsorption (PSA) was performed on B-Na-LSX at 6 bar. ∼232 cycles were run with above 98 % of CH4 purity and ∼74 % of recovery. The life-cycle test of sorbent was studied. It was implied that the designed sorbent is effective to produce the high purity of CH4 and can be utilized for a longer period for CH4 production. © 2025 The Korean Society of Industrial and engineering Chemistry

关键词： Gas adsorption

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Biomass-derived adsorbents and nanocomposites for wastewater treatment

Biomass-derived adsorbents and nanocomposites for wastewater...

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2nd International Conference on Water Technologies, ICWT 2022

作者： Kshirsagar, Deepa Thanekar, Pooja Balapure, Kshama Bhandari, Vinay M. Chemical Engineering and Process Development Division CSIR National Chemical Laboratory Pune411008 India

ISBN: (纸本)9789819967643

Newer biomass-derived adsorbents were developed from green pods of Cassia fistula apart from further nano-metal (Cu, Fe oxide, Ni) and acid modifications. The adsorbents were characterized by FE-SEM, HR-TEM, Powder XRD, BET and FTIR analysis. Removal studies on two different dyes, Malachite green and Congo red, revealed a very high adsorption capacity for the removal of malachite green dye, ∼1355 mg/g for Cu-nanocomposite, 661 mg/g for Fe-nanocomposite and 456 mg/g for unmodified adsorbent;also an order of magnitude, 2000% higher than the reported commercial carbon adsorbents. The results clearly highlight utility of bio-nanocomposites for wastewater treatment and dye removal. © 2023 Elsevier Ltd. All rights reserved.

关键词： Effluent treatment

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Application of response surface methodology with central composite design to evaluate the extraction of U(VI) into ionic liquids

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Materials Today: Proceedings 2022年 57卷 1738-1744页

作者： Kumar, Pradeep Vincent, Tessy Khanna, Ashok Department of Chemical Engineering IET Lucknow 226021 India Process Development Division Nuclear Recycle Group BARC Mumbai India Department of Chemical Engineering IIT Kanpur 208016 India

Application of response surface methodology with central composite design to evaluate Uranium (VI) extraction from acidic medium by tri-n-butyl phosphate (TBP) solution into Ionic liquids has been studied. At low acidic solution i.e. at 0.01 M HNO3 the enhancement in distribution ratio DU in [EMIM][TF2N], [BMIM][TF2N], [Trihexyl tetradecyl phosphonium][TF2N] compared to dodecane is ∼ 347, 260 and 82 times and to TBP it is ∼ 300, 225 and 70 times respectively. Percent extraction (% E) of uranium into [EMIM][TF2N] is found to be highest 93% compared to other ionic liquids. The RSM with two-level-two-full factorial CCD was employed to predict the statistical model which relates the TBP composition and pH to the DU with (R2 = 98.6%). The model equation is tested for its suitability by analysis of variance (ANOVA) and it is found to be in good agreement with the experimental data. © 2021

关键词： Ionic liquids

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Transducer misplacement compensation for in-lab-made 3D photoacoustic tomography systems using Nature-inspired algorithms

Transducer misplacement compensation for in-lab-made 3D phot...

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Photons Plus Ultrasound: Imaging and Sensing 2023

作者： Rahaman, Jarjish Prakash, Ravi Ranjbaran, Mohsen Manwar, Rayyan Avanaki, Kamran CSIR- National Chemical Laboratory Chemical Engineering & Process Development Division Pune India University of Illinois-Chicago Biomedical Engineering Department ChicagoIL United States

ISBN: (纸本)9781510658639

Three-dimensional (3D) photoacoustic tomography is a method of choice for imaging round organs such as brain and breast. Many research groups have used a fully populated hemispherical transducer array with 256, 512, 1028, or 2048 elements and used that for 3D imaging. These transducer arrays are expensive and require a sophisticated data acquisition unit. Other groups have used much smaller number of transducers with a rotating mechanism which eventually filled out the entire hemisphere. We have built a 3D hemispherical array with 28 transducers which are placed on a 3D printed dome-like unit. The location of transducers however may be off-placed by a few millimeters (due to human error and errors in 3D printing). This may be to defocus the reconstructed image if the acceptable positions of transducers are not selected. In this work, we developed a compensation algorithm for misplacement of these transducers using Cuckoo search (CS) algorithm. The CS algorithm finds the optimum location for the transducers using levy flight which relies on levy distribution. The optimum location of each of these transducers is found within -4 mm to 4 mm of their locations. Universal back projection algorithm was used for image reconstruction and the sharpness of 3D image was used as the cost function;additionally, two more objective functions, the Brenner gradient, and the Tenenbaum gradient was investigated. © 2023 SPIE.

关键词： Cost functions

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Solvent Screening for Separation processes Using Machine Learning and High-Throughput Technologies

Chem and Bio Engineering

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Chem and Bio engineering 2025年第4期2卷 210-228页

作者： Edaugal, Justin P. Zhang, Difan Liu, Dupeng Glezakou, Vassiliki-Alexandra Sun, Ning Advanced Biofuels and Bioproducts Process Development Unit Biological Systems and Engineering Division Lawrence Berkeley National Laboratory EmeryvilleCA94608 United States Physical and Computational Sciences Directorate Pacific Northwest National Laboratory RichlandWA99354 United States Chemical Sciences Division Oak Ridge National Laboratory Oak RidgeTN37830 United States

As the chemical industry shifts toward sustainable practices, there is a growing initiative to replace conventional fossil-derived solvents with environmentally friendly alternatives such as ionic liquids (ILs) and deep eutectic solvents (DESs). Artificial intelligence (AI) plays a key role in the discovery and design of novel solvents and the development of green processes. This review explores the latest advancements in AI-assisted solvent screening with a specific focus on machine learning (ML) models for physicochemical property prediction and separation process design. Additionally, this paper highlights recent progress in the development of automated high-throughput (HT) platforms for solvent screening. Finally, this paper discusses the challenges and prospects of ML-driven HT strategies for green solvent design and optimization. To this end, this review provides key insights to advance solvent screening strategies for future chemical and separation processes. © 2025 The Authors. Co-published by Zhejiang University and American chemical Society.

关键词： chemical industry

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Novel Denoising Technique for Optical Coherence Tomography Images

Novel Denoising Technique for Optical Coherence Tomography I...

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Photonics in Dermatology and Plastic Surgery 2024

作者： Rahaman, Jarjish May, Julia Puyana, Carolina Tsoukas, Maria Avanaki, Kamran CSIR- National Chemical Laboratory Chemical Engineering & Process Development Division Pune India Department of Dermatology University of Illinois at Chicago ChicagoIL United States The Richard and Loan Hill Department of Biomedical Engineering University of Illinois at Chicago ChicagoIL United States

ISBN: (纸本)9781510668911

This study introduces a learning-assisted denoising technique for skin Optical Coherence Tomography (OCT) images. By combining Reinforcement Learning (RL) with the Denoising Convolutional Neural Network (DnCNN), we achieve enhanced denoising capabilities. The method iteratively refines DnCNN parameters through RL-guided policies, demonstrating superior performance. Tailored for skin OCT images, the approach prioritizes preserving vital structures for accurate clinical assessments. This integration of RL into DnCNN training represents a promising advancement in medical image denoising, particularly for dermatological diagnostics. © 2024 SPIE.

关键词： Image denoising

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Correction to: Calcination Temperature Impacting the Structure and Activity of CuAl Catalyst in Aqueous Glycerol Hydrogenolysis to 1,2-Propanediol (Topics in Catalysis, (2025), 68, 3-4, (318-331), 10.1007/s11244-024-02032-5)

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Topics in Catalysis 2025年 1-2页

作者： Mane, Rasika Potdar, Aparna Jeon, Yukwon Rode, Chandrashekhar School of Chemistry and Chemical Engineering Queen’s University Belfast David Keir Building Stranmillis Road BelfastBT9 5AG United Kingdom Panchwati Pashan Road Pune411008 India Department of Environmental and Energy Engineering Yonsei University Gangwon-do Wonju26493 Korea Republic of Chemical Engineering and Process Development Division CSIR-National Chemical Laboratory Dr. Homi Bhabha Road Pashan Pune411008 India

In this Article the wrong figure appeared as Fig. 7.;the Figure should have appeared as shown below Incorrect version: Correct version: The original article has been corrected. © The Author(s) 2025.

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Design,synthesis,and biological evaluation of 1,2,4-triazole derivatives as potent antitubercular agents

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Chinese chemical Letters 2024年第3期35卷 326-331页

作者： Yu Wen Shichun Lun Yuxue Jiao Wei Zhang Tianyu Hu Ting Liu Fan Yang Jie Tang Bing Zhang William R.Bishai Li-Fang Yu Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghai 200062China Center for Tuberculosis Research Department of MedicineDivision of Infectious DiseaseJohns Hopkins School of MedicineBaltimoreMD21231-1044United States Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China Shanghai Key Laboratory of Green Chemistry and Chemical Process School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghai 200062China

Inhibition of mycobacterial membrane protein large 3(MmpL3)thereby affecting the mycolic acid biosynthetic pathway has been proven to be an effective strategy for developing antitubercular *** on the X-ray crystal structure of MmpL3 inhibitor complexes,a series of novel 1,2,4-triazole derivatives were designed,synthesized and evaluated antitubercular activity against Mtb strain *** structure–activity relationship exploration resulted in the identification of compounds 21 and 28,which possess potent antitubercular activity against Mtb strain H37Rv[minimum inhibitory concentration(MIC)=0.03–0.13μg/mL]and the clinical isolates of multidrug resistance(MDR)and extensive drug resistance(XDR)tuberculosis(MIC=0.06–1.0μg/mL).Moreover,compounds 21 and 28 showed neglectable cytotoxicity(IC_(50)≥32μg/mL)to the mammalian Vero cells and favorable physicochemical and pharmacokinetic properties according to the in silico absorption,distribution,metabolism and excretion(ADME)***,the potential target of representative 1,2,4-triazole 28 was identified to be MmpL3 using a microscale thermophoresis(MST)assay.

关键词： Tuberculosis MDR and XDR-TB MmpL3 inhibitor 1 2 4-Triazole Structure-based drug design

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