Chemical Engineering Research Articles

Current Advances in Viral Nanoparticles for Biomedicine.

Viral nanoparticles (VNPs) have emerged as crucial tools in the field of biomedicine. Leveraging their biological and physicochemical properties, VNPs exhibit significant advantages in the prevention, diagnosis, and treatment of human diseases. Through techniques such as chemical bioconjugation, infusion, genetic engineering, and encapsulation, these VNPs have been endowed with multifunctional capabilities, including the display of functional peptides or proteins, encapsulation of therapeutic drugs or inorganic particles, integration with imaging agents, and conjugation with bioactive molecules. This review provides an in-depth analysis of VNPs in biomedicine, elucidating their diverse types, distinctive features, production methods, and complex design principles behind multifunctional VNPs. It highlights recent innovative research and various applications, covering their roles in imaging, drug delivery, therapeutics, gene delivery, vaccines, immunotherapy, and tissue regeneration. Additionally, the review provides an assessment of their safety and biocompatibility and discusses challenges and future opportunities in the field, underscoring the vast potential and evolving nature of VNP research.

Optimizing catalytic surface coatings in FDM-Printed sustainable materials: Innovations in chemical engineering

This research brings in the advancement of sustainable, high-performance engineering solutions where catalytic surface coatings are pursued to integrate with fused deposition modeling printed sustainable materials. The work is centered on optimization of catalytic coatings for higher efficiency and durability, which is innovatively linked with the advance chemical engineering. In probing the influence of different catalytic materials and deposition methods on FDM-printed substrates, we applied advanced surface functionalization, nano-engineering, and computational modeling techniques. Among other elements, this research approach utilized ANN with PSO algorithms in optimizing the parametric setting that best yielded high catalytic performance. The results obtained show considerable improvements in catalytic activity and the coating's lifetime, promising such applications in energy, environmental, and chemical industries. This study not only draws attention to the potential of FDM-printed sustainable materials but also demonstrates the potential of chemical engineering innovations for optimizing catalytic surface coatings toward the development of high-performance, sustainable technologies.

Integrating Chemical Mechanisms and Feature Engineering in Machine Learning Models: A Novel Approach to Analyzing HONO Budget.

Nitrous acid (HONO) serves as the primary source of OH radicals in the atmosphere, exerting significant impacts on atmospheric secondary pollution. The heterogeneous reactions of NO2 on surfaces and photolysis of particulate nitrate or adsorbed nitric acid are important sources of atmospheric HONO, yet the corresponding kinetic parameters based on laboratory investigations and field observations exhibit considerable variations. In this study, we developed an explainable machine learning model to analyze the HONO budget using two years of summer urban supersite observations. By integrating chemical mechanisms and feature engineering into our machine learning model, we assessed the contributions of different sources to HONO and inferred the kinetic parameters for the primary HONO formation pathways, thereby partially addressing the limitations associated with predetermined rate coefficients. Our findings revealed that the primary source of daytime HONO in the summer was the photolysis of nitric acid adsorbed on both aerosol and ground surfaces, accounting for over 40% of its unknown sources. This was followed by the photoenhanced heterogeneous conversion of NO2 and the photolysis of particulate nitrate. Additionally, we derived the corresponding kinetic parameters, analyzed their influencing factors, and confirmed that machine learning methods hold great potential for the study of the HONO budget.

Why knowledge is central to ‘graduateness’ – implications for research and policy

ABSTRACT Debates about the employability of graduates in policy and research have increasingly focused on graduates’ employment outcomes and the development of generic employability skills. This suggests that the knowledge that students engage with in their degrees is far less important than the generic attributes they develop, which promotes a knowledge-blind conception of ‘graduateness’. This article draws on data from a seven-year longitudinal study of students who studied chemistry and chemical engineering in England, South Africa and the USA, following them up to four years after graduation. Graduates’ reflections on the most important things they gained from their degree centred on the knowledge they engaged in as part of their undergraduate degree and how this shaped their way of engaging with the world. This has two important implications. First, it highlights the ways in which the focus on generic employability and employment outcomes obscures the way in which ‘graduateness’ depends on the relations to knowledge that graduates have developed through their studies. Second, this means that focusing on graduate outcomes without taking account of these relations to knowledge provides policymakers, institutional leaders and prospective students with a profoundly misleading account of the educational outcomes of undergraduate degrees.

Innovative Strategies for Microalgae-Based Bioproduct Extraction in Biorefineries: Current Trends and Future Solutions Integrating Wastewater Treatment

Recently, microalgae have emerged as a promising feedstock for biorefineries, offering significant potential for producing high-value bio-based products in areas such as biofuels, nutraceuticals, and environmental management. This study, therefore, undertook an in-depth bibliometric review of 535 articles out of 736 publications published between 2010 and 2024 and sourced from the Scopus database. With the use of the VOS-viewer software, this work identified the major trends within significant research areas in terms of focus and global collaboration networks that pertain to microalgae-based bioproducts. Also, it explored cutting-edge techniques for bioproduct extraction and processing that are both efficient and eco-friendly. This analysis also showed a remarkable growth in output, with peaks in the year 2022, reflecting an interest in renewable energy and methods of sustainable production. The main keywords identified deal with subject areas such as energy, environmental science, and chemical engineering. The dominant technologies referred to dealing with lipid extraction, bio-crude production, and nutrient recycling. While addressing cost, scale-up, and environmental concerns, there is still a need to improve extraction techniques like ultrasonic treatment, supercritical fluid treatment, and enzymatic treatment. Other emerging areas of research include genetic engineering and integrated biorefinery models, which are expected to provide a roadmap for future advancements in the field. The challenges innate in meeting this through innovation and optimization will be the key to realizing the full potential of microalgae to contribute to the circular bioeconomy.

Preparation of bio‐based polyamide 56/chitosan heavy metal adsorbing nanocomposite fibers by electrospinning

AbstractElectrospinning technology can produce nanofibers with extremely high specific surface area. Bio‐based polyamide 56 (PA56) was combined with chitosan (CS) to prepare PA56/CS composite nanofibers. An in vitro mineralization experiment was conducted to obtain a super hydrophilic composite fiber (PA56/CS‐HAP) with hydroxyapatite deposited on the surface. The adsorption performance of the composite fiber (PA56/CS‐HAP) was evaluated by the adsorbent dosage, solution pH value, and adsorption kinetics. The curves obtained after fitting the kinetics and adsorption isotherms show that the adsorption behavior under pH = 6 is more consistent with the Langmuir adsorption model. The adsorption capacity in a 100 mg L−1 Pb2+ environment is more than 5 times that of 10 mg L−1. Bio‐based PA56/CS static‐spun nanocomposite fibers prepared by in vitro mineralization have great potential in environmental protection, sensors, chemical engineering, and other fields.Highlights PA/CS fibers were prepared by electrospinning. Hydroxyapatite was deposited by in vitro mineralization technique. PA/CS‐HAP fiber achieves super hydrophilic effect. The adsorption capacity of PA/CS‐HAP in 100 mg L−1 Pb(II) reached 27.5 mg g−1. After fitting, the adsorption process is consistent with Langmuir adsorption.

Efficiently and consistently energy-stable [formula omitted]-phase-field method for the incompressible ternary fluid problems

Ternary incompressible fluid flows extensively exist in atmospheric science, chemical engineering, and energy and power engineering, etc. The phase-field method is popular in multi-phase fluid modeling thanks to its efficient ability of interface capturing. This work aims to develop an energy dissipation law-preserving and temporally second-order accurate algorithm for a ternary phase-field fluid system. To establish a simple energy estimation, an adapted auxiliary variable approach is used to transform the original model into its equivalent form. Later, a second-order backward difference strategy is used to design the fully decoupled and linear time-marching scheme. To improve the consistency between original and modified discrete energy functionals, a practical energy correction technique is presented. We analytically prove the discrete energy dissipation property and show that the energy estimation can be easily established without considering the complex treatments of nonlinear and coupling terms. To facilitate the interested readers, we briefly describe the numerical implementation in each time step. The numerical tests indicate that the proposed method not only has desired accuracy, but also satisfies the energy stability even if a larger time step is used. Moreover, the proposed method can well simulate various ternary fluid phenomena, such as the liquid lens, phase separation, droplet dynamics, Kelvin–Helmholtz instability, and billowing cloud.

Molecular Thermodynamics of Complex Coacervate Systems. Part I: Modeling of Polyelectrolyte Solutions using pePC-SAFT.

Rigorous molecular modeling of polyelectrolyte solutions is complicated by several intrinsic challenges of those systems, such as the strong charge correlation and the complex cocktail of short-range and long-range interactions, which span over a broad length scale. On the other hand, there is an increasing interest in understanding and designing polyelectrolyte systems in biology, life science, medicine, and (bio)chemical engineering. Thermodynamics of polyelectrolyte solutions is rather underexplored, and the difficulties in describing polyelectrolytes at the molecular level as well as the lack and the uncertainty of experimental data might have hindered the development of accurate thermodynamic models for polyelectrolytes. In this work, the main phenomena of counterion condensation, complex formation and coacervate formation are discussed and considered for the further development of polyelectrolyte PC-SAFT (pePC-SAFT) as modeling framework in this work. The new development was then validated using experimental osmotic coefficients of aqueous polyelectrolyte solutions. Finally, liquid-liquid phase separation (LLPS) of complex coacervate systems (aqueous solutions containing oppositely charged polyions) were modeled with pePC-SAFT, and the results were in very good agreement with literature data.

Construction of biocatalysts based on P450BM3 for the degradation of non-steroidal anti-inflammatory drugs

Non-steroidal anti-inflammatory drugs (NSAIDs) are widespread pollutants in aquatic environments, posing significant risks to both ecosystems and human health due to their persistence and bioaccumulation. Effective and sustainable degradation methods are urgently required to address this environmental challenge. This study aims to design and optimize a cytochrome P450BM3-based biocatalyst for the rapid and efficient degradation of NSAIDs by direct chemical intervention and protein engineering. The novel biocatalyst achieved efficient biodegradation of four common NSAIDs. Notably, the F87I/T268D mutant achieved 99.22% degradation of diclofenac (DCF) within 10min, and degraded meloxicam (MEL) and phenylbutazone (PBZ) at rates of 98.86% and 90.51% within 5min, respectively. Furthermore, the F87G mutant accomplished 99.08% degradation of acetaminophen (APAP) within just 2min. The catalytic properties of P450BM3 and its mutants were evaluated through kinetic studies, and potential degradation pathways of the four NSAIDs were proposed in conjunction with UPLC-MS. This study provides a novel biocatalytic approach for the rapid degradation of NSAIDs in aquatic systems, offering considerable environmental benefits for pollution mitigation.

Design and Implementation of a Cost-Effective, Safe, and Precise Lean-Rich Generating System for NOX Storage Reduction Catalyst Evaluation: Performance Analysis, Statistical Modeling, and Multiple Response Optimization – A Guideline for Future Research and Application

Mixing is a critical factor in chemical reaction engineering, particularly in the development of new catalysts for pollutant removal, such as NOx storage reduction catalysts. Comprehensive performance evaluation in laboratory experiments requires high-quality test gases. Several techniques have been developed for generating these gases, each with specific advantages and limitations. This research presents a simple, safe, and cost-effective gas generation system for laboratory applications, including evaluating adsorbents and catalysts, particularly NOx storage reduction catalysts, and for toxicological studies using precise dynamic methods like gas stream mixing and evaporation. Components of the dynamic system—including gas cylinders, connections, mixing chambers, rotameters, the quartz reactor with preheating chamber, bubbler systems, and tubular heaters—are comprehensively described. Statistical modeling and optimization were employed to determine the optimal operating conditions. The optimal conditions were identified as NO (924 ppm), O₂ (15%), CO (9999 ppm), and a space velocity of 105,921 h⁻¹. Additionally, the system's ability to generate various mixtures of gases (NO, O₂, and CO) and vapors (toluene and water) was assessed. The system was further evaluated under fan-on and fan-off modes to assess its performance under varying turbulent conditions. A detailed analysis was performed to determine the relative errors, time to reach steady-state conditions, and actual concentrations produced under different expected concentrations (NO: 100-200 ppm, O₂: 3-15%, CO: 500-10000 ppm, toluene: 64-8999 ppm, relative humidity: 0.14-22.69%), space velocity (70,000-140,000 h⁻¹), bubbler flow rates (10-600 mL/min), and saturator temperatures (5-20°C). Fundamental equations for calculating conversion, selectivity, and yield of a component of interest, carbon-messing, and carbon balance in the mixture are also provided.

Dual-metal synergy unlocking ROS-free catalysis for rapid aerobic oxidation of 5-hydroxymethylfurfural at room temperature

Clean catalytic oxidation has a broad prospect in the modern chemical engineering and energy chemistry fields. However, unexpected over-oxidation and disruptive degradation are frequently induced by excessive reactive oxygen species (ROS). Herein, we reported a new ROS-free approach to effectively drive O2 to be activated into highly reactive surface peroxo species through enzyme-mimicking mechanism. Benefiting from the dual-metal synergy effect between Cu and Co active sites, ROS (H2O2 and OH•) is generated in situ while further scavenged completely into surface peroxo species, which gives rise to very high selectivity and extremely high carbon balance. For example, the CuCo/N-C catalyst affords >99.8% conversion and 94.5% selectivity to 2,5-furanedicarboxylic acid at 25 °C for 6 h in the aerobic oxidation of biomass platform 5-hydroxymethylfurfural. Moreover, it achieved exceptional performance in the oxidation of a variety of hydroxyl compounds to organic acids with high yields (89.9%–99.5%) at a mild temperature (25–40 °C). This exploration introduces an innovative clue for emulating enzyme catalysts, thereby enriching our comprehension and advancement of biologically inspired catalytic oxidations.

Life cycle assessment and techno-economic analysis of maleic anhydride hydrogenation to 1,4-butanediol through biomass gasification coupling with chemical looping hydrogen production

Maleic anhydride hydrogenation is an important method to produce 1,4-butanediol. However, a large amount of H2 is needed for this method. Thus, novel processes to produce 1,4-butanediol from maleic anhydride were proposed using biomass gasification combined with chemical looping hydrogen generation technology (BGCLHP route) and natural gas steam reforming (NGSR route) to provide maleic anhydride hydrogenation with H2. Life cycle assessment was carried out, indicating that the BGCLHP route has a smaller environmental influence than the NGSR route. Additionally, techno-economic analysis was also studied to analyze the capital and operating investment, demonstrating the feasibility of the proposed route with existing technologies. Utilizing municipal solid waste as raw material, the minimum 1,4-butanediol selling price of the BGCLHP route was 2245 $/tonne, indicating it has a better economic performance. Based on the above analysis, the BGCLHP route has the potential to contribute to a more eco-friendly and economically sustainable 1,4-butanediol industry.

The Effects of AR-Based Physics Homework on Learning Circular Motion

Abstract In this study, we compared the effectiveness of AR-based homework, traditional homework, and mixed-approach homework in learning about circular motion. To that end, we conducted a pretest-posttest quasi-experiment involving 135 first-year students enrolled in an introductory physics course at the University of Zagreb, Faculty of Chemical Engineering and Technology, Croatia. The students in the experimental group completed augmented reality (AR)-based homework assignments. In these assignments, their learning about circular motion was supported by a meticulously designed worksheet that included four AR-supported activities. In the mixed-approach group, students were given a homework assignment that included three AR-supported activities and one quantitative textbook problem, whereas the traditional group’s homework consisted of four quantitative textbook problems covering the same content. Findings from our study suggest that the post-treatment scores for all groups were significantly higher than the pretreatment scores, with the largest pre-post gains observed in the mixed-approach group. We conclude that combining carefully selected quantitative problems with key AR activities is the most promising approach.

A combined genetic modification and chemical engineering strategy for designing high-performance cellulose nanofibrils separators

A combined genetic modification and chemical engineering strategy for designing high-performance cellulose nanofibrils separators

Manuscript for: Journal of Environmental Chemical Engineering New insights into the influence of ultrafiltration pretreatment on reverse osmosis membrane fouling during urban sewage reclamation: Interaction between extracellular polymeric substances and inorganic foulants

Ultrafiltration (UF) has been frequently employed as pretreatment to mitigate reverse osmosis (RO) membrane fouling. The organic and inorganic substances outflowing from UF pretreatment collectively determine the subsequent RO membrane fouling behavior. However, most of the previous studies were focused on single organic compounds as well as CaSO4 scaling, yet complex organic matter such as extracellular polymeric substances (EPS) and various inorganic scaling (i.e. CaCO3, Ca3(PO4)2) coexisted during urban sewage reclamation. In this study, the impact of UF pretreatment on RO membrane fouling behavior, especially the interaction between EPS and CaCO3/Ca3(PO4)2 scaling, were systematically investigated. Results showed that the presence of UF significantly reduced the normalized flux decline (9.3% vs. 14.3%) and enhanced cleaning recovery efficiency (84.6% vs. 51.6%) of RO membrane, but increased scattered crystals (CaCO3 and Ca3(PO4)2) formation on RO membrane surface. Further investigation showed that the binding energy of the Ca2p1/2 and Ca2p3/2 peaks on fouled RO membrane exhibited a shift towards lower energy, which indicated a weak complexation between EPS and Ca2+, thereby increasing inorganic scaling and confirming the two-sides role of EPS retained by UF in RO membrane fouling. Moreover, static experiments indicated that EPS inhibited CaCO3 scaling rather than Ca3(PO4)2 scaling with the inhibition rates of 7.3% and 0.7%, respectively. To the best of our knowledge, it is the first to reveal the different effect of EPS on CaCO3 and Ca3(PO4)2 scaling. The results may provide a new insight into the effect of UF pretreatment on RO membrane fouling during urban sewage reclamation process.

Development of a Cloud Service for Comprehensive Research of Polymer Synthesis Processes

The issue of digitalization in chemical technology production is currently quite pressing, and the available computational infrastructure is insufficient for assessing the technological properties of the products obtained through mathematical modeling tools. This problem is particularly relevant for polymer synthesis processes, where standard empirical evaluations require enormous computational resources, and existing methods and algorithms prove ineffective when organizing multiple computational trials to select optimal production scenarios. The aim of this study is to develop a cloud-based digital service that enables comprehensive research into complex physicochemical processes occurring via polymerization mechanisms. The implementation of all algorithms is based on the use of kinetic and statistical approaches to modeling, and the embedded calculation methods are adapted to the specifics of polymerization processes. The conceptual framework of the developed cloud service is represented by a three-tier network architecture, and the established mechanism of network interaction allows the service to operate in a 24-hour multi-user mode. Task execution in the remote environment and the distribution of computational resources are handled using Docker containerization technology, which provides software-level virtualization within the operating system. The storage subsystem is managed by the MongoDB database management system, which supports distributed information storage functions. The organization of test computational experiments in evaluating the detailed properties of polymer products allowed for the assessment of the system’s core logic in web interface mode and the adequacy of the obtained calculation results. Doi: 10.28991/ESJ-2024-08-06-023 Full Text: PDF

FROM ACADEMIA TO INDUSTRY: A JOURNEY OF INNOVATION IN CHEMICAL ENGINEERING - INTERVIEW WITH PROFESSOR FERNANDO LUIZ PELLEGRINI PESSOA

Background: The interview with Professor Dr. Fernando Luiz Pellegrini Pessoa covers his extensive career and contributions to chemical engineering, focusing on innovations and sustainability. Objectives: To explore Professor Pellegrini's experiences in various areas of chemical engineering, including teaching methods, research in supercritical extraction, biodiesel production, and process intensification. Methods: Semi-structured interview addressing topics such as academic and industrial career, teaching methods, ongoing research, and future perspectives for the chemical industry. Results: Professor Pellegrini highlighted the importance of practical application of theoretical knowledge, the development of the Water Source Diagram method, advances in supercritical extraction and biodiesel production, and the need for process intensification in the industry. Discussion: The interview revealed the importance of integration between academia and industry, the need for teaching methods that facilitate learning, and the challenges in implementing sustainable and efficient technologies in the chemical industry. Conclusion: Professor Pellegrini emphasizes the importance of process intensification and sustainability in the evolution of the chemical industry. He highlights the need for greater collaboration between academia and industry to address future challenges and implement innovative solutions.

Dual Solutions of Two-Dimensional Hybrid Nanofluid Flow and Heat Transfer Past a Porous Medium Permeable Shrinking Sheet with Influence of Heat GenerationAbsorption and Convective Boundary Condition

In this study, the dual solutions of two-dimensional hybrid nanofluid flow and heat transfer past a porous medium permeable shrinking sheet with influence of heat generation/absorption and convective boundary condition were examined using the bvp4c solver with the MATLAB computational framework. The utilization of two-dimensional hybrid nanofluid flow and heat transfer in the presence of a porous medium permeable shrinking sheet, considering the effects of heat generation/absorption and convective boundary conditions, has wide-ranging applications in industries such as cooling systems, aerospace, chemical engineering, biomedical applications, energy systems, microfluidics, automotive thermal management, industrial drying, and nuclear reactor cooling, etc. These applications employ the improved thermal characteristics of hybrid nanofluids and the efficient heat control offered by porous media and convective boundary conditions. The governing partial differential equations (PDEs) are transformed into a collection of higher-order ordinary differential equations (ODEs) together with their corresponding boundary conditions. These equations are subsequently shown both numerically and graphically. The main objective of this inquiry is to examine the relationship between the solid volume fraction of copper and the permeability parameter of the porous medium, specifically focusing on the values of f''(0) and - (0) according to the suction effect. The current research has also integrated the temperature and velocity profile of a hybrid nanofluid flow, which corresponds to the influence of porous medium permeability, heat generation/absorption, and convective boundary condition. Dual solutions are acquired by certain combinations of parameters. Non unique solutions are obtained when the critical point reaches , for suction effects. Increasing the intensity of heat generation absorption and convective boundary condition leads to a more pronounced temperature profile and thicker boundary layer.

Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone

Carbon quantum dots (CQDs) have recently received a lot of attention due to their unique physical properties, and their environmentally friendly features such as low toxicity and high biocompatibility. Supercritical fluids, which possess unusual properties such as high solubility, high diffusivity, low viscosity and zero surface tension, are now commonly used particularly in the fields of electronic, chemical and materials science and engineering. Here, we synthesise carbon nano/microparticles in supercritical acetone, in which neither external molecules nor starting materials are dissolved/dispersed. We find that carbon microparticles and nano structures such as graphene quantum dots (GQDs), carbon nano onions (CNOs) and elongated carbon nano onions (eCNOs) are self-assembled via thermal decomposition of acetone under its supercritical conditions. We also find that the carbon microparticles are in fact formed by GQDs, CNOs and eCNOs, the microparticles being physically resolved into GQDs, CNOs and eCNOs with sonication. The fluorescence features of the carbon nano structures are clarified, noting that no photobleaching was observed for at least one month. The present result may well lead to the development of facile bottom-up methodologies for synthesising nano materials in solvents under their supercritical conditions without using any external precursors/starting materials.

Contextualizing and visualizing abstract theoretical knowledge for situated learning: large-scale VR-supported higher education in China

Against the backdrop of a worldwide decline in students’ mastery of theoretical knowledge in mathematics and other fundamental sciences, the present study explores how China has attempted to facilitate university students’ learning of theoretical knowledge by massively developing and using virtual reality (VR)-supported simulations. Through presenting three specific cases in the fields of telecommunications engineering, civil engineering, and chemical engineering in three Chinese universities, the study unravels how VR creates simulated physical and social settings, contextualizes and visualizes abstract theoretical knowledge points, and provides opportunities for students to set parameters and situated environment on their own to enhance the dynamic student-knowledge interaction and university students’ hands-on experiences of learning by doing at micro-level. The study discusses the processes of using VR from a situated learning perspective and provides implications for how universities and colleges can help students better master theoretical knowledge and avoid abstraction shock.