Minimum Energy Value Research Articles

Process development and optimization of sustainable and integrated large scale ammonia production process using water electrolysis based green hydrogen: Investigating process, energy, economic & environmental perspectives

Ammonia is an important raw material for fertilizer production and significantly contributes globally to agricultural systems. The multi-objective optimization of a large-scale integrated ammonia production process using water electrolysis-based green hydrogen is carried out using the Hybrid Multi-Objective Differential Evolution-Distance Learning Scheme (Hybrid MODE-DLS) algorithm. Three optimization cases are solved with the objectives of ammonia production rate, total production cost, and total energy by considering nine decision variables, and multiple constraints. The maximum ammonia production (66.51 kmol/h) and minimum total production cost (105.07 $/yr × 105) are obtained in Case 1 whereas the minimum energy value (7863.45 kWh) is obtained in Case 2. The minimum heat credit value of 3057300.5 $/annum exists in Case 2 solutions whereas the maximum heat credit value of 7992076 $/annum is seen in Case 3. The ammonia production rate increased by 82.79% in Case 2 results compared to the base case results.

Significantly improved optical and radiation transmission performance of borate glasses via Tb and Yb rare earth doping

The present study was intended to present new borate glass structure with attractive properties useful for optical and radiation shielding purposes. Therefore, a novel series of B2O3-glass samples defined as: 75B2O3 – 10Li2O – (15-x-y)PbO – x(Yb2O3) – y(Tb2O3), where the corresponding oxide fractions are expressed in mol percent and x and y varied between 1 and 2 mol%, were prepared by employing the well-known melting-and-quenching technique. The structural, physical, optical, and radiation interaction qualities of the glasses were probed based on established experimental and theoretical processes. There was a thin line between the density and molar volumes of the glasses, fluctuating between 3.168 and 3.224 g/cm3 and 28.602 and 29.117 cm3/mol, respectively. All the glass samples exhibited a transparency of over 80 % in the visible range and most parts of the infrared spectrum. The analysis of the gamma photon interaction parameters showed that density and chemical composition greatly influence the shielding abilities of the glasses. The mean free paths of the studied glasses were lower than some known shielding glasses and other materials. The value of ΣR for 1Y0T, 1Y1T, 1Y2T, and 2Y1T is 0.1059, 0.1066, 0.1051, and 0.1063 cm−1, respectively. The half value layers of the glasses had almost a constant minimum value of 0.005 cm at the minimum energy (0.015 MeV) and maximum values of 7.192, 7.100, 7.152, and 7.035 cm for 1Y0T, 1Y1T, 1Y2T, and 2Y1T, respectively at 10.000 MeV. The glasses are potentially more effective for radiation shielding and also desirable where there is lack of space for thicker shield designs. The present glasses had better fast neutron moderating capacities compared to some conventional moderators. None of the studied borate glasses showed a clear performance advantage to the others in terms of absorbing electrons, protons, alpha particles and heavy carbon ions. The studied borate glasses are recommended as transparent and effective radiation protection barriers in ionizing radiation facilities.

Influence of drying condition on the drying constants and activation energy for robusta coffee using heat pump drying

Abstract Heat pump drying (HPD) is a method of drying agricultural products which has great potential due to its high efficiency and energy savings. Coffee is a heat sensitive product, HPD was chosen as an alternative to existing drying methods for coffee processing. Understanding of the HPD process is important to know for optimizing the coffee drying process with HPD especially in drying characteristics. The purpose of this research is to determine the number for the drying rate constant and the energy of activation in coffee drying. The material used in this study was wet parchment Robusta coffee beans (Coffea canephora). The research was carried out experimentally for 5 h at 700 lpm air flow with varying drying air conditions by adjusting the drying temperature and specific humidity. The drying temperatures used were 60, 65, 70, 75, and 80 °C. The drying temperature is limited to 80 °C based on SNI 7467-2008. Variations in specific humidity are determined based on temperature settings in the refrigeration system of 10, 15, 20 °C and without a refrigeration system. The maximum drying rate constant was 10.69×10-3 s-1, achieved at a temperature of drying variation of 80 °C while a specific humidity of 6.16 g H2O/kg dry air, while the minimum activation energy value was 23.43 kJ/mol at the same specific humidity. The lowest drying rate constant value was 5.79×10-3 s-1, achieved at a temperature of drying variation of 60 °C and a specific humidity of 17.24 g H2O/kg dry air, while the greatest activation energy level was 26.18 kJ/mol at the same specific humidity.

Experimental Investigation of the Drying Characteristics of Tapioca Under Solar Drying Condition

Agricultural products are subjected to one form of processing or the other, to either improve the shelf life of the products, or as a necessary condition before consumption. Solar drying is one method that helps to increase the shelf life of agricultural products. In this study, an experimental investigation of the drying characteristics of cassava chips popularly called tapioca was carried out for the purpose of improved shelf life and hygiene, under solar drying conditions in the month of December, 2023. An analysis of key parameters was conducted on the experimental data and post-processed in the Microsoft Excel environment. The results suggested that the moisture removal rate of tapioca was 0.2183 % to 6.3829% on dry mass basis, with cumulative drying time of 27hours in three days. The maximum and minimum energy values during the drying period were 15485.14kJ and 9.6243kJ, respectively. Thus, the average value obtained for solar collector efficiency varied from 6.99 % to 16.89 %. The study also established that the colour and texture of the tapioca under the drying conditions could be retained.

Prediction of Pesticide Interactions with Proteins Involved in Human Reproduction by Using a Virtual Screening Approach: A Case Study of Famoxadone Binding CRBP-III and Izumo.

In recent years, the awareness that pesticides can have other effects apart from generic toxicity is growing. In particular, several pieces of evidence highlight their influence on human fertility. In this study, we investigated, by a virtual screening approach, the binding between pesticides and proteins present in human gametes or associated with reproduction, in order to identify new interactions that could affect human fertility. To this aim, we prepared ligand (pesticides) and receptor (proteins) 3D structure datasets from online structural databases (such as PubChem and RCSB), and performed a virtual screening analysis using Autodock Vina. In the comparison of the predicted interactions, we found that famoxadone was predicted to bind Cellular Retinol Binding Protein-III in the retinol-binding site with a better minimum energy value of -10.4 Kcal/mol and an RMSD of 3.77 with respect to retinol (-7.1 Kcal/mol). In addition to a similar network of interactions, famoxadone binding is more stabilized by additional hydrophobic patches including L20, V29, A33, F57, L117, and L118 amino acid residues and hydrogen bonds with Y19 and K40. These results support a possible competitive effect of famoxadone on retinol binding with impacts on the ability of developing the cardiac tissue, in accordance with the literature data on zebrafish embryos. Moreover, famoxadone binds, with a minimum energy value between -8.3 and -8.0 Kcal/mol, to the IZUMO Sperm-Egg Fusion Protein, interacting with a network of polar and hydrophobic amino acid residues in the cavity between the 4HB and Ig-like domains. This binding is more stabilized by a predicted hydrogen bond with the N185 residue of the protein. A hindrance in this position can probably affect the conformational change for JUNO binding, avoiding the gamete membrane fusion to form the zygote. This work opens new interesting perspectives of study on the effects of pesticides on fertility, extending the knowledge to other typologies of interaction which can affect different steps of the reproductive process.

Оценка электростатических свойств средств защиты головы, применяемых во взрывопожароопасных зонах

Problems of prevention of explosions and fires caused by the accumulation of electrostatic charge and the following discharge able to ignite an explosion and hazardous medium are well known in global practices. These conditions are specific, inter alia, to engineering industries and determined by the technological necessity to wash or process product surfaces in the medium of flammable liquids. At the same time, explosion and fire safety is primarily ensured by the requirements for non-excess of the minimum value of ignition of medium containing flammable liquids. As a potential source of accumulation of electrostatic charges, personal head protection equipment (safety helmets) required for mechanic safety is considered. Their base and tooling are usually made of polymer materials naturally prone to electrification. The article aims to resolve the problem of assessing the potential accumulation of electric charges during the contact of the scalp with elements of safety helmets. In conditions of current production, the electrostatic potential relative to the earth occurring on the scalp, cheeks, chin, and elements of safety helmet during putting on and off has been studied; the results of the study are provided. The energy of accumulated charges has been determined and compared with the value of minimum energy of ignition of different gasoline brands; conclusions regarding the sufficiency of energy to generate a discharge capable of causing an initiating ignition of flammable liquids have been made. The impact of the length of the employee’s scalp hair on the level of accumulation of electrostatic charges potentially causing ignition of the working medium containing flammable liquids has been determined. The results of the study can be used for the development of a methodology to assess a potential spark hazard occurring due to contact electrification during the use of safety helmets in conditions of explosion and fire-hazardous media and potentially causing fire and explosion.

Minimum Degree Energy of Graphs and Pebbling Graphs

Objectives: The minimum degree energy concept is applied to pebbling graphs. This study establishes a connection between the minimum degree energy of graphs and the minimum degree energy of pebbling graphs by applying the lowest degree energy of pebbling notion to twenty standard graphs. Methods: The minimum degree energy of pebbling graph with the matrix whose was calculated using . The characteristic polynomial of the minimum degree, is must be found from the matrix. Next, the eigen values of the matrix were calculated using and the sum of all the eigen values gives the minimum degree energy. The lower and upper bounds for the minimum degree energy of graphs are established along with the algorithm for computing the minimum degree energy of graphs. Findings: The lower and upper bounds were found for the minimum degree energy of pebbling graphs. For twenty standard graphs and pebbling graphs, the minimum degree energy values were calculated, and their relation was tabulated. Novelty: Pebbling graphs were subjected to the minimal energy idea and a relationship was found between the minimum energy of pebbling graphs and the minimum energy of graphs in general. Keywords: Energy, Minimum degree energy, Grotzsch graph, Pebbling graph, Data mining

Prediction of RNA Secondary Structure Using Butterfly Optimization Algorithm

Ribonucleic acid (RNA) structure is vital to its ability to function within the cell. The ability to predict RNA structure is essential to implementing new medications and understanding genetic illnesses. It is also important in synthetic and computational biology. All these functions are directly related to its secondary structure. Also prediction of RNA secondary structure process is the most significant step to determining the tertiary structure of RNA. On account of this, prediction of secondary structure of RNA is the crying topic in bioinformatics. In this research, we present the swarm-based metaheuristic Butterfly Optimization Algorithm (BOA) method for predicting the secondary structure of RNA. The main feather of the BOA is that it can conduct both local and global search simultaneously. According to the problem perspective, we have redesigned the operators of BOA to perform global and local search operations in different ways. We have followed a thermodynamic model for the selection of the stable secondary structure with minimum Gibbs free energy. Predicting the minimum free energy value we also developed an “Optimize” function to search the new optimize structure. This function increases the prediction efficiency, creating new stable structure and also decreases the time complexity of global searching procedure. We have used a public dataset to perform the prediction operation. To accuse our prediction efficiency, we have compared our outcomes to existing popular algorithms. The result shows that the proposed approach can predict secondary RNA structure better than other state-of-the-art algorithms.

Dielectric and magnetic response of Cu-Co-Sm ferrite impregnated with graphene nanoplatelets for high-frequency device applications

This work studied a composite of graphene nanoplatelets (GNPs) impregnated copper-cobalt-samarium ferrites Cu0.5Co0.5Fe1.97Sm0.03O4/GNPs synthesized via sol-gel auto-combustion route. The structural, electrical, dielectric, and optical properties of the as-prepared composites were investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM), EDX, I-V characteristics, impedance measurement, raman spectroscopy, scanning electron microscopy (SEM), vibrating sample magnetometry (VSM) analysis, and UV–visible spectroscopy. XRD confirmed that the spinel ferrites had a crystalline single-phase FCC structure with the lattice constant of around 8.33 Å, and the crystallite size range from 54.10 nm to 51.85 nm. SEM analysis confirmed the homogenous dispersion of spinel ferrites in graphene sheets, and EDX confirmed the presence of all elements in ferrite composites with GNPs. Furthermore, the spinel matrix was confirmed by the Raman and UV-visible analysis. A minimum particle size of 21.73 nm was determined using TEM, and the minimum value of activation energy (0.01 eV) was obtained from IV characteristics for ferrite composite with 2.5% GNPs. Further, our ferrite composites with GNPs demonstrated improved electroconductive properties, with conductivity ranging from 5.88×10−8S/cm to 1.04×10−6S/cm at 673 K. The real & imaginary part of permittivity, dielectric constant (ε’), and impedance (Z) were also improved with the addition of GNPs. At low frequencies, a permeability loss value of 0.81 was obtained for the ferrite composite with 5% GNPs. VSM analysis confirmed that the saturation magnetization decreased in ferrite composites with graphene nanoplatelets. The minimum value of skin depth of 1.03 mm was observed at 1.25 % GNPs. Our ferrite composites with GNPs exhibited minimal eddy current at high frequencies, making them promising candidates for high-frequency device applications.

Physical Peculiarity of Two Sites in Human Promoters: Universality and Diverse Usage in Gene Function.

Since the discovery of physical peculiarities around transcription start sites (TSSs) and a site corresponding to the TATA box, research has revealed only the average features of these sites. Unsettled enigmas include the individual genes with these features and whether they relate to gene function. Herein, using 10 physical properties of DNA, including duplex DNA free energy, base stacking energy, protein-induced deformability, and stabilizing energy of Z-DNA, we clarified for the first time that approximately 97% of the promoters of 21,056 human protein-coding genes have distinctive physical properties around the TSS and/or position -27; of these, nearly 65% exhibited such properties at both sites. Furthermore, about 55% of the 21,056 genes had a minimum value of regional duplex DNA free energy within TSS-centered ±300 bp regions. Notably, distinctive physical properties within the promoters and free energies of the surrounding regions separated human protein-coding genes into five groups; each contained specific gene ontology (GO) terms. The group represented by immune response genes differed distinctly from the other four regarding the parameter of the free energies of the surrounding regions. A vital suggestion from this study is that physical-feature-based analyses of genomes may reveal new aspects of the organization and regulation of genes.

Multi-target therapeutic modulation with natural compounds towards DNA repair MRN-checkpoint sensor genes (MRN-CSGs) and oncogenic miRNAs in breast cancer patients: a Clinico-Informatic study.

Breast cancer, more prevalent in women, often arises due to abnormalities in the MRN-checkpoint sensor genes (MRN-CSG), responsible for DNA damage detection and repair. Abnormality in this complex is due to the suppression of various effectors such as siRNAs, miRNAs, and transcriptional factors responsible for breast tumor progression. This study analyzed breast tumor samples (n = 60) and identified four common miRNAs (miR-1-3p, miR-210-3p, miR-16-5p, miR-34a-5p) out of 12, exploring their interactions with MRN-CSG. The 3D structures of these miRNA-MRN-CSG complexes displayed strong thermodynamic stability. Screening 7711 natural compounds resulted in two natural compounds (F0870-0001 and F0922-0471) with the lowest ligand binding energies (ΔG = -8.4 to-11.6kcal/mol), targeting two common miRNAs. Docking results showed that one natural compound (PubChem id-5 281 614) bound to all MRN-CSG components (ΔG = -6.2 to -7.3kcal/mol), while F6782-0723 bound only to RAD50 and NBN. These compounds exhibited minimal dissociation constants (Kd and Ki) and thermodynamically stable minimum free energy (MMGBSA) values. Molecular dynamics simulations indicated highly stable natural compound-MRN-CSG complexes, with consistent RMSD, RMSF, and strong residual correlation. These top-selected compounds displayed robust intermolecular H-bonding, low carcinogenicity, low toxicity, and drug-like properties. Consequently, these compounds hold promise for regulating miRNA and MRN-CSG DNA repair mechanisms in breast cancer therapy. Insight Box: This study investigated breast tumor samples (n = 60) and identified four miRNAs (miR-1-3p, miR-210-3p, miR-16-5p, miR-34a-5p) that interact with MRN-checkpoint sensor genes (MRN-CSG), crucial for DNA damage repair. Screening 7711 natural compounds highlighted two compounds (F0870-0001 and F0922-0471) with the lowest binding energies (ΔG = -8.4 to -11.6kcal/mol), targeting two common miRNAs (miR-1-3p and miR-34a-5p). Another natural compound (PubChem id-5 281 614, ΔG = -6.2 to -7.3kcal/mol) bound all MRN-CSG components, while F6782-0723 targeted RAD50 and NBN. These compounds showed strong binding stability, favorable MMGBSA values, and minimal dissociation constants. Molecular dynamics simulations confirmed the stability and drug-like properties of these compounds, indicating their potential in breast cancer therapy by modulating miRNA and MRN-CSG DNA repair mechanisms.

Regulating structural stability and photoelectrical properties of FAPbI3via formamidine cation orientation.

Organic cations play a significant role in the structural stability and photoelectrical properties of organic-inorganic hybrid perovskites. The orientation of organic cations impacts its interaction with inorganic octahedrons [PbI]6-, subsequently modifying the atomic structure and electronic and optical properties of perovskite materials. However, it is still challenging to regulate the stability of perovskites with different orientations. In this work, density functional theory calculations were performed to investigate the effects of the formamidine cation (FA+) located at the angles of 0°, 45°, 90° and 180° (relative to the normal of the crystal plane) along the typical crystal directions ([001], [010], [110] and [111]) on the structural stability and photoelectrical properties of formamidine lead iodide (FAPbI3). The results show that when FA+ is located at 45° along the [111] direction, FAPbI3 achieves the highest stability and excellent photoelectrical properties. The energy evolution curves display that the system with the orientation of [111] has the minimum energy value, signifying stronger stability than the other orientations. Especially, when FA+ is located at 45° along the [111] direction. it exhibits a stronger hydrogen bond between H and I atoms, shorter Pb-I bond length and smaller [PbI]6- octahedral tilt bond angle. The band gap in the [110] direction changes from direct to indirect while FAPbI3 with other FA+ orientations still maintains the direct band structure located at the high symmetric R point. Furthermore, FA+ orientation drives the redshift of FAPbI3 towards the long wavelength region in the [111] crystal direction, which enhances the light absorption coefficient. This work can offer guidance in employing molecular regulation technology for the development of stable perovskite solar cells.

Experimental study of the effects of laser sialolithotripsy

BACKGROUND: The effectiveness of removing concretions using sialoendoscopy depends on the size and location of the concretion in the salivary gland. According to the research results, holmium YAG lasers are the predominant intracorporeal lithotriptors in crushing urolites and sialoliths. However, to date, in comparative studies of lasers of different types in urology, the Thule laser FiberLase U2 demonstrates high efficiency. Research by urologist surgeons served as the basis for the experiment on the possibility of crushing sialoliths and analyzing the physical effects.
 AIM: To evaluate the safety and time of crushing of sialolith using a thulium laser FiberLase U2 in vitro.
 MATERIALS AND METHODS: Twelve round-shaped sialolith with a diameter of 5–6 mm were selected for the study. A model simulating the gland duct was developed. The fiber of the FiberLase U2 laser was fed through the proximal end of the model, and a series of lithotripsies were performed sequentially in three modes of the device at maximum and minimum values of energy and pulse frequency, fixing the temperature rise during irrigation and the resulting effects during crushing.
 RESULTS: Crushing sialoliths to fragments measuring 1 mm is possible in all three laser modes. Operation at maximum values of pulse energy and frequency proceeded faster, whereas the maximum temperature rise varied from 45°C to 48°C, depending on the mode. Crushing was accompanied by pronounced cavitation and frequent sparks when the laser pulse was applied. Fragmentation at the minimum parameters of the pulse energy and frequency proceeded much slower; however, the maximum temperature rise ranged from 33°C to 40°C, and the listed effects were observed to a lesser extent in all three modes.
 CONCLUSION: The use of a Thule laser for crushing concretions in all three modes at maximum pulse energy and frequency is inefficient and unsafe. Work at minimum values of the dusting and popcorning modes has shown the best results; however, further study of crushing with this laser is necessary.

A 3D physical model predicting favorable bacteria adhesion

Predicting the initial steps of bacterial biofilm formation remains a significant challenge accross various fields, such as medical and industrial ones. Here we present a straightforward 3D theoretical model based on thermodynamic rules to assess the early stages of biofilm formation on different material surfaces. This model relying also on morphological aspects of bacteria, we used Atomic Force Microscopy images of two Gram negative bacteria, Pseudomonas fluorescens and Escherichia coli to determine their dimensions and geometries as single cells or in aggregated states. Algorithms developed for our modeling and numerical simulations generated a dataset of energetic minimized states, depending on the substrate. The model was applied to substrates widely used for bacteria immobilization in imaging applications. The results show that the different minimum energy values, depending of the substrate, can be correlated with the bacterial adhesion state, representing a potential tool for evaluating the early stages of biofilm formation on various surfaces.

Unravelling benzazepines and aminopyrimidine as multi-target therapeutic repurposing drugs for EGFR V774M mutation in neuroglioma patients

Introduction: Neuroglioma, a classification encompassing tumors arising from glial cells, exhibits variable aggressiveness and depends on tumor grade and stage. Unraveling the EGFR gene alterations, including amplifications (unaltered), deletions, and missense mutations (altered), is emerging in glioma. However, the precise understanding of emerging EGFR mutations and their role in neuroglioma remains limited. This study aims to identify specific EGFR mutations prevalent in neuroglioma patients and investigate their potential as therapeutic targets using FDA- approved drugs for repurposing approach. Methods: Neuroglioma patient’s data were analyzed to identify the various mutations and survival rates. High throughput virtual screening (HTVS) of FDA-approved (1615) drugs using molecular docking and simulation was executed to determine the potential hits. Results: Neuroglioma patient samples (n=4251) analysis reveals 19% EGFR alterations with most missense mutations at V774M in exon 19. The Kaplan-Meier plots show that the overall survival rate was higher in the unaltered group than in the altered group. Docking studies resulted the best hits based on each target's higher docking score, minimum free energy (MMGBSA), minimum kd, ki, and IC50 values. MD simulations and their trajectories show that compounds ZINC000011679756 target unaltered EGFR and ZINC000003978005 targets altered EGFR, whereas ZINC000012503187 (Conivaptan, Benzazepine) and ZINC000068153186 (Dabrafenib, aminopyrimidine) target both the EGFRs. The shortlisted compounds demonstrate favorable residual interactions with their respective targets, forming highly stable complexes. Moreover, these shortlisted compounds have drug- like properties as assessed by ADMET profiling. Conclusion: Therefore, compounds (ZINC000012503187 and ZINC000068153186) can effectively target both the unaltered/altered EGFRs as multi-target therapeutic repurposing drugs towards neuroglioma.

Structural, optical, elastic, thermoelectric and thermodynamic properties of the IrMn material: A DFT study

In this work, we present a study of the structural, optical, elastic, thermoelectric and thermodynamic properties of iridium manganese (IrMn) using the code “WIEN2k” with the full potential linearized augmented plane wave (FP-LAPW) method. The lattice constants of the IrMn compound are calculated by the generalized gradient approximation with Perdew–Burke–Ernzerhof (GGA-PBE). Indeed, we have studied the magnetism exhibited by the compound IrMn. We found that the antiferromagnetic phase of this material is the most stable phase. The magnetic moment, plasma frequency, bandgap, elastic constants, and electronic and magnetic properties of this material are deduced and discussed. We have shown that the antiferromagnetic phase is the most stable with a minimum energy value of around −1034947.477[Formula: see text]eV. We optimized the [Formula: see text] ratio and found that its value is approximately [Formula: see text] 0.923133. On the other hand, the absorption and reflectivity coefficients, the optical conductivity and the dielectric tensor are studied. In addition, the thermo-electric and thermodynamic properties have been illustrated. The IrMn compound could be useful for different applications of spintronics.

An investigation on minimum ignition energy (MIE) and thermodynamic analysis of typical fibrous dust

This study focused on several natural fibrous dust (cotton, silk, and linen fibers) and synthetic fibrous dust (polyester and nylon fibers) obtained from textile mills. Potential relationships between minimum ignition energy (MIE) values and equivalent diameters calculated via four phenomenological models were explored to explain the dependence of the MIE values on geometry. Diameter and material composition are the most critical factors influencing MIE of fibrous dust. However, the impact of length on MIE involving a fixed-diameter fiber cannot be ignored. To explain higher MIE values with increased fiber length per given diameter, an axial heat transfer mechanism model of fibrous dust was constructed in terms of energy conservation. In addition, the pyrolysis processes, pyrolysis mechanisms, and thermodynamic parameters (i.e., activation energy (E), pre-factor (A), and enthalpy(ΔH)) of typical fibrous dust were analyzed to provide a theoretical basis for the numerical simulation of this dust type.

Investigation of dust ignition sensitivity and co-pyrolysis properties of biomass and plastic waste during resource utilization

This study investigated the sensitivity of dust to ignition and the co-pyrolysis properties of biomass-plastic composites (BPCs) during resource utilization process. A model of co-pyrolysis process for four BPCs was developed using a BP neural network algorithm. The addition of polyethylene increased the biomass powder's tendency to pyrolyze. In the main pyrolysis stage, the lignin and polyethylene fractions significantly impact the synergistic effect more than the other fractions. Corn stalk/polyethylene and rice husk/polyethylene are synergistic during the pyrolysis process making these BPC products relatively promising for utilization. However, more attention should be paid to the dust explosion hazard posed by the BPCs. PE increases the ignition sensitivity of the biomass powder. Compared to other BPCs, minimum ignition temperature (420 °C) and minimum ignition energy (21 mJ) values for rice husk/polyethylene composites are the lowest. The volatile fraction of biomass content is one of the most influential factors affecting the ignition sensitivity of BPCs.

Designing of banana shaped chromophores via molecular engineering of terminal groups to probe photovoltaic behavior of organic solar cell materials

To meet the rising requirement of photovoltaic compounds for modernized hi-tech purpose, we designed six new molecules (DTPD1-DTPD6) from banana shaped small fullerene free chromophore (DTPR) by structural tailoring at terminal acceptors. Frontier molecular orbitals (FMOs), density of states (DOS), open circuit voltage (Voc), transition density matrix (TDM) analysis, optical properties, reorganization energy value of hole and electron were determined utilizing density function theory (DFT) and time-dependent density function theory (TD-DFT) approaches, to analyze photovoltaic properties of said compounds. Band gap contraction (∆E = 2.717–2.167 eV) accompanied by larger bathochromic shift (λmax = 585.490–709.693 nm) was observed in derivatives contrary to DTPR. The FMOs, DOS and TDMs investigations explored that central acceptor moiety played significant role for charge transformation. The minimum binding energy values for DTPD1-DTPD6 demonstrated the higher exciton dissociation rate with greater charge transferal rate than DTPR, which was further endorsed by TDM and DOS analyses. A comparable Voc (1.49–2.535 V) with respect to the HOMOPBDBT–LUMOacceptor for entitled compounds was investigated. In a nutshell, all the tailored chromophores can be considered as highly efficient compounds for promising OSCs with a good Voc response.

PSO-Incorporated Hybrid Artificial Hummingbird Algorithm with Elite Opposition-Based Learning and Cauchy Mutation: A Case Study of Shape Optimization for CSGC-Ball Curves.

With the rapid development of the geometric modeling industry and computer technology, the design and shape optimization of complex curve shapes have now become a very important research topic in CAGD. In this paper, the Hybrid Artificial Hummingbird Algorithm (HAHA) is used to optimize complex composite shape-adjustable generalized cubic Ball (CSGC-Ball, for short) curves. Firstly, the Artificial Hummingbird algorithm (AHA), as a newly proposed meta-heuristic algorithm, has the advantages of simple structure and easy implementation and can quickly find the global optimal solution. However, there are still limitations, such as low convergence accuracy and the tendency to fall into local optimization. Therefore, this paper proposes the HAHA based on the original AHA, combined with the elite opposition-based learning strategy, PSO, and Cauchy mutation, to increase the population diversity of the original algorithm, avoid falling into local optimization, and thus improve the accuracy and rate of convergence of the original AHA. Twenty-five benchmark test functions and the CEC 2022 test suite are used to evaluate the overall performance of HAHA, and the experimental results are statistically analyzed using Friedman and Wilkerson rank sum tests. The experimental results show that, compared with other advanced algorithms, HAHA has good competitiveness and practicality. Secondly, in order to better realize the modeling of complex curves in engineering, the CSGC-Ball curves with global and local shape parameters are constructed based on SGC-Ball basis functions. By changing the shape parameters, the whole or local shape of the curves can be adjusted more flexibly. Finally, in order to make the constructed curve have a more ideal shape, the CSGC-Ball curve-shape optimization model is established based on the minimum curve energy value, and the proposed HAHA is used to solve the established shape optimization model. Two representative numerical examples comprehensively verify the effectiveness and superiority of HAHA in solving CSGC-Ball curve-shape optimization problems.