Article
Chemistry, Multidisciplinary
Fakhrony Sholahudin Rohman, Mohd Roslee Othman, Dinie Muhammad, Ashraf Azmi, Iylia Idris, Rushdan Ahmad Ilyas, Samah Elsayed Elkhatif, Muhammad Nazri Murat
Summary: The study introduced neural Wiener model predictive control (NWMPC) and a soft sensor model to address fouling formation in reactor vessels, enabling online monitoring and controlling of the F-D processes for faster LDPE grade transition and lower resource consumption compared to state space model control utilizing only linear blocks.
Article
Chemistry, Multidisciplinary
Fakhrony Sholahudin Rohman, Mohd Roslee Othman, Dinie Muhammad, Ashraf Azmi, Iylia Idris, Rushdan Ahmad Ilyas, Samah Elsayed Elkhatif, Muhammad Nazri Murat
Summary: The study introduces the neural Wiener model predictive control (NWMPC) to address fouling formation in low-density polyethylene (LDPE) polymerization, and utilizes a soft sensor model to monitor and control the fouling-defouling process. Compared to state space model predictive control (SSMPC), NWMPC proves to be faster in controlling the transition of LDPE grade and consumes fewer resources.
Article
Environmental Sciences
Baoqing Deng, Yuanzhen Jiang, Lin Gao, Bensheng Zhao
Summary: This study simulates the effect of baffles on heterogeneous photocatalytic oxidation of gas-phase ethylene in three annular reactors using computational fluid dynamics. The results show that baffles can improve the uniformity of flow and prolong the residence time, but have little effect on radiation distribution and complex effects on the diffusion of ethylene.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Polymer Science
Laihui Xiao, Sam J. Parkinson, Tianlai Xia, Phillippa Edge, Rachel K. O'Reilly
Summary: Anisotropic materials have potential applications in various fields, but the current method of platelet preparation is inefficient. To address this, this study demonstrates the use of continuous flow reactors to improve the production of size-controllable platelets with improved size and dispersity.
Article
Engineering, Chemical
Shuaifeng Zhang, Qinghua Zhang, Bo Kong, Chao Yang, Rodney O. Fox
Summary: The multigrain model (MGM) is commonly used for olefin polymerization research, but its detailed modeling of intraparticle transport is not suitable for multiphase CFD simulations. To address this issue, the effectiveness factor model (EFM) is developed based on the MGM, which can be used in multiphase CFD simulations. The EFM is validated and compared with the MGM, showing similar results with lower computation cost for olefin slurry polymerization when alpha(i,mp) < 2.0.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Chemical
Shuaifeng Zhang, Zhuotai Jia, Bo Kong, Shaoping Ma, Zai-Sha Mao, Qinghua Zhang, Ning Yang, Chao Yang
Summary: A multiscale model of slurry-phase olefin polymerization is developed to account for the existence of gas-liquid mass transfer resistance. The comprehensive model integrates the reaction kinetic model, single particle model, and overall mass conservation balance. The interdependence of mass transfer resistance and polymerization reactions is evaluated. The model prediction is validated with literature data, and the effects of operating conditions on polymerization rate and polymer properties are discussed.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Polymer Science
Amjad Ali, Nadeem Muhammad, Shahid Hussain, Muhammad Imran Jamil, Azim Uddin, Tariq Aziz, Muhammad Khurram Tufail, Yintian Guo, Tiantian Wei, Ghulam Rasool, Zhiqiang Fan, Li Guo
Summary: The kinetics of ethylene and propylene polymerization catalyzed by homogeneous metallocene using different co-catalysts were studied. The results showed varying effects on polymer properties, with alkylaluminum having complex influences on molecular weight distribution of polyethylene. Additionally, the study explored the mechanistic features of zirconocenes catalyzed olefin polymerizations and chain termination mechanisms.
Review
Engineering, Multidisciplinary
Shujun Geng, Zai-Sha Mao, Qingshan Huang, Chao Yang
Summary: Pneumatically agitated slurry reactors, such as bubble column reactors and airlift loop reactors, play a crucial role in gas-liquid-solid multiphase reactions. They offer low shear stress, excellent mixing, and efficient mass/heat transfer properties, making them widely used in biological fermentation and energy chemical industries. To enhance performance and meet industrial demands, process intensification is essential.
Article
Chemistry, Physical
Nana Misawa, Yuichi Suzuki, Kentaro Matsumoto, Soumen Saha, Nobuaki Koga, Masataka Nagaoka
Summary: Atomistic simulation of 1-octene polymerization reaction with a (pyridylamido) Hf(IV) catalyst revealed that the reaction rate is faster with B(C6F5)(4)(-) than with MeB(C6F5)(3)(-), possibly due to the different ion pair structures formed. Additionally, the initiation of the polymerization reaction was found to be a slow process, while the chain termination reaction is more sensitive to the ion pair structures.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Review
Engineering, Environmental
Dawei Wang, Miguel Angel Mueses, Jose Angel Colina Marquez, Fiderman Machuca-Martinez, Ivana Grcic, Rodrigo Peralta Muniz Moreira, Gianluca Li Puma
Summary: The debate over the commercial maturity of photocatalysis for water treatment has intensified recently, with a focus on research into reactor design and modeling to complement innovative materials development. Despite advances in reactor technology, challenges in dissemination of design principles remain a barrier to widespread real-world application.
Article
Engineering, Chemical
Mahdi Abdi Khanghah, Arezou Jafari
Summary: This study modeled catalytic upgrading reactions in porous media using CFD technique coupled with reaction kinetics. The hydrodynamic characteristics of reactive flow in porous media were investigated, and it was found that they have a significant influence on the conversion of upgrading reactions. Additionally, the study revealed the effects of temperature and residence time on the product distribution of upgrading products.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Thermodynamics
Hao Chen, Xueyi Zhang, Xingting Fan, Zhuo Li, Lili Qian, Bo Zhang, Shuang Wang
Summary: By adjusting the flow rate and inserting twist tapes in the flow channel, the convection of microalgae slurry in a continuous hydrothermal liquefaction (HTL) reactor is enhanced, leading to optimized temperature distribution and biocrude yield. A computational fluid dynamics (CFD) model integrated with HTL kinetics of microalgae biomass is used to simulate the contour plots of temperature and biocrude yields. It is found that compared to increasing flow rate, the swirl flow induced by the twist tape significantly increases convective heat transfer coefficient and biocrude conversion rate. This study provides insights for optimizing the flow channel of tubular reactors for HTL conversion of microalgae biomass.
APPLIED THERMAL ENGINEERING
(2023)
Article
Engineering, Chemical
Jianqing Wang, Jiajun Wang, Lian-Fang Feng
Summary: An integrated model combining computational fluid dynamics (CFD) with polymerization kinetics was developed for investigating the industrial styrene thermal polymerization process. The CFD model coupled with the comprehensive kinetic model provided more accurate and reliable predictions compared to the ideal reactor model. Optimization suggestions for operation conditions were also proposed.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Review
Engineering, Chemical
Amit K. Thakur, Rahul Kumar, Nilanjana Banerjee, Pranava Chaudhari, Gajendra Kumar Gaurav
Summary: This paper critically discusses the multi-scale behavior of liquid-solid hydrodynamics in polyolefin slurry reactors, as well as the impact of liquid-solid and solid-solid interactions on reactor performance. Possible methods to avoid reactor operational difficulties are also discussed.
Article
Chemistry, Multidisciplinary
Clement G. Collins Rice, Jean-Charles Buffet, Zoe R. Turner, Dermot O'Hare
Summary: Novel permethylindenyl-phenoxide (PHENI*) ansa-metallocene titanium complexes immobilized on solid supports show high catalytic activity for slurry-phase ethylene polymerization, producing substantially disentangled polyethylene with a weight-average molecular weight of 3.4 MDa.
CHEMICAL COMMUNICATIONS
(2021)
Review
Instruments & Instrumentation
Rahul Kumar, Amit K. Thakur, Nilanjana Banerjee, Ashutosh Kumar, Gajendra Kumar Gaurav, Raj Kumar Arya
Summary: The present work reviews the application of liquid antisolvent crystallization (LASC) in preparing pharmaceutical compounds as nanoparticles, aiming to improve their solubility, dissolution rate, and bioavailability. Various techniques, such as ultrasound and additives, are discussed to achieve narrow size distribution of the particles. Additionally, the use of ionic liquid as an alternative solvent is also presented. The paper highlights the less-explored applications of LASC in pharmaceutical research, and discusses the potential of combining LASC with traditional techniques for nanoparticle preparation.
DRUG DELIVERY AND TRANSLATIONAL RESEARCH
(2023)
Review
Instruments & Instrumentation
Rahul Kumar, Amit K. K. Thakur, Gergely Kali, Kancharlapalli Chinaraga Pitchaiah, Raj Kumar Arya, Anurag Kulabhi
Summary: In this review, the utilization of supercritical carbon dioxide (SC CO2) as an antisolvent in particle engineering approaches is critically discussed. Different SC CO2-based antisolvent processes, including GAS, SAS, and SEDS, are described. The effects of process parameters on particle size, distribution, and morphology are discussed, as well as the applications of SAS process in improving dissolution rate, solubility, and bioavailability in different formulation approaches.
DRUG DELIVERY AND TRANSLATIONAL RESEARCH
(2023)
Article
Thermodynamics
R. Kumar, A. K. Thakur, A. Kulabhi, A. Mishra
Summary: The solubility data of Active Pharmaceutical Ingredients in organic solvents is crucial for pharmaceutical crystallization and drug formulation. This study utilized two semi-empirical correlations and two thermodynamic models to estimate the solubility of lornoxicam in ethanol and water, providing predicted solubility data for situations where experimental data is unavailable.
INTERNATIONAL JOURNAL OF THERMODYNAMICS
(2023)
Article
Environmental Sciences
Kaushal Naresh Gupta, Rahul Kumar, Amit Kumar Thakur, Nadeem A. Khan
Summary: This paper focuses on the treatment of dyeing wastewater using the foam separation process, which offers advantages over traditional methods. The separation ability of sodium dodecyl sulfate (SDS) and sodium dodecyl benzene sulfonate (SDBS) for methylene blue (MB) was compared, with SDBS found to be a better surfactant for obtaining a concentrated solution of MB in the foamate. The method of enhancing foam drainage by inserting an inverted funnel resulted in a doubled MB concentration in the foamate. Operating variables were optimized using the Taguchi method and Grey relational analysis, with the concentration of MB identified as the most responsive parameter for both separation parameters.
Article
Engineering, Chemical
Ratnesh Kumar Patel, Atul Pratap Singh, Ravi Shankar, Prateek Khare, Amit Kumar Thakur, Vitthal L. L. Gole
Summary: Population and industrialization growth contribute to indoor air quality depletion, necessitating air quality control in sensitive areas. Small and economical air pollutant controlling equipment can be effective in indoor air quality control.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Article
Engineering, Chemical
Injamamul Haque, Tabish Alam, Jagmohan Yadav, Naveen Kumar Gupta, Md Irfanul Haque Siddiqui, Tauseef Uddin Siddiqui, Naushad Ali, Shivam Srivastava, Anil Singh Yadav, Abhishek Sharma, Rohit Khargotra, Amit Kumar Thakur
Summary: Higher density heat flux causes damage to electronic components, so cooling them is crucial for safe operation and longer lifespan. In this study, lozenge-shaped pin-fins were designed and used in microchannel heat sinks to achieve better cooling performance. The results showed that introducing lozenge-shaped pin-fins greatly improved heat transmission, with the best performance observed at an aspect ratio of 1.00.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Article
Engineering, Chemical
Pranava Chaudhari, Ashish Kapoor, Yashraj Awasthi, Amit K. Thakur, Rahul Kumar
Summary: This research investigates the effect of microchannel geometry on fluid flow behavior. The results show that the channel geometrical configuration and the Reynolds number significantly affect fluid flow behavior.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Article
Engineering, Chemical
Raj Kumar Arya, Devyani Thapliyal, Amit K. Thakur, Rahul Kumar, George D. Verros
Summary: A methodology based on non-equilibrium thermodynamics principles is developed to estimate the extremum dissipation point for steady-state incompressible flow past a sphere at low Reynolds numbers. It is found that the extremum dissipation point occurs when both the shear stress and pressure at the sphere surface are zero. The Reynolds number and position of the extremum dissipation flow past a sphere are estimated using a mathematical model for pressure distribution, taking into account both creeping and ideal flow. The model parameters are determined by comparing the calculated pressure distribution with literature data. The conditions for the coincidence of separation angle and extremum dissipation angle are also investigated. This work can contribute to a better understanding of flow past a sphere.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Article
Physics, Multidisciplinary
M. T. Islam, A. K. Thakur
Summary: A novel multi-step design simulation was conducted on a SnS absorber based solar cell architecture, resulting in a 4.5 times enhancement in efficiency compared to reported experimental results. The improvement can be attributed to the efficient control over inherent loss mechanism achieved through device design modifications. The design approach included widening the absorber bandgap at the interface, considering donor interfacial defects, limiting the presence of majority carriers at the interface via asymmetric doping, and employing a back surface field at the absorber/back metal contact interface.
Article
Engineering, Environmental
Amit K. Thakur, Rahul Kumar, Ashutosh Kumar, Ravi Shankar, Nadeem A. Khan, Kaushal Naresh Gupta, Mahendra Ram, Raj Kumar Arya
Summary: The presence of pharmaceutical compounds (PCs) in aqueous systems poses a significant threat to ecological systems. Advanced oxidation-based integrated techniques have emerged as promising solutions for the effective degradation of PCs. This study provides a critical review of these techniques, including their integration with adsorption, membrane filtration, and biological methods, and conducts a comparative study to assess their treatment efficiency, versatility, complexity, energy consumption, and treatment cost.
JOURNAL OF WATER PROCESS ENGINEERING
(2023)
Article
Engineering, Chemical
Amarjeet Kumar Prasad, Dhirendra Kumar Singh, Ravi Shankar, Amit K. Thakur, Dheerandra Singh
Summary: This study examines the cooling and dehumidification process in the summer season using calcium chloride desiccant material and solar heating arrangements through experiments and mathematical modeling. The results show that an airflow velocity of 2-4 m/s can achieve human comfort conditions.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Review
Environmental Sciences
Ashutosh Kumar, Amit K. Thakur, Gajendra Kumar Gaurav, Jiri Jaromir Klemes, Vishal Kumar Sandhwar, Kamal Kishore Pant, Rahul Kumar
Summary: This review critically discusses the generation and sustainable management of hazardous waste, including strategies such as prevention, reduction, recycling, waste-to-energy, advanced treatment technology, and proper disposal. It summarizes the major policies, legislations, and international conventions related to hazardous waste management and analyzes the global generation and composition of hazardous waste along with their environmental and health impacts. The review also proposes a roadmap for future research focused on the circular economy model and discusses the challenges in waste management.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Proceedings Paper
Materials Science, Multidisciplinary
Nilanjana Banerjee, P. Sukichandran, Pranava Chaudhari, Amit K. Thakur, Rahul Kumar
Summary: Green fuels are gaining prominence in the energy sector, with biomass conversion being a viable option for transportation and electricity generation. Algal biomass generation and conversion to biofuel have become important due to faster harvesting, CO2 neutral generation, less land requirement, and high lipid content. However, technical and financial challenges such as water and nutrient requirements, energy demands for drying, and commercial viability need to be addressed. Open ponds are found to be more commercially viable than closed photo-bioreactors. Government policies, financial subsidies, and industry acceptance play a crucial role in the future of algal-based green fuel technologies.
MATERIALS TODAY-PROCEEDINGS
(2022)
Proceedings Paper
Materials Science, Multidisciplinary
Pranava Chaudhari, Amit K. Thakur, Rahul Kumar, Nilanjana Banerjee, Amit Kumar
Summary: Nature constantly evolves itself through different mechanisms, and evolutionary algorithms mimic these mechanisms. Genetic algorithm is one such evolutionary algorithm, and non-dominated sorting genetic algorithm (NSGA) is widely used for industrial multi-objective optimization problems due to its simplicity and efficiency. NSGA-II, with the consideration of elitism, is computationally more efficient than NSGA. NSGA-III, a recently developed variant, is reported to be more efficient for many-objective optimization problems. This study compares the efficacy of NSGA-III with NSGA-II for a three-objective optimization problem of a Styrene reactor, and the results show that NSGA-III provides a more diverse range of optimal operating conditions than NSGA-II.
MATERIALS TODAY-PROCEEDINGS
(2022)