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404 articles for “dynamic simulations”
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Dynamic Simulation of Load-Responsive Vapor Compression Refrigeration Systems
Abstract: Because of their dependable operation and effectiveness, vapor compression refrigeration systems, or vapor compression refrigeration (VCRS), have become popular in commercial, industrial, and residential settings. However, under different thermal loads, classic vapor compression refrigeration (VCR) systems may perform less well in that they are usually built for steady-state conditions and run at consistent speeds. In order to improve a load-responsive VCR system’s flexibility, energy efficiency, and response to changing cooling …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 12, Issue 2, 2025 · pp. 32–37 Read article
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Computational Exploration of Aristolochia indica Bioactive Compounds Against Snake Venom Proteins Using Docking and Dynamics Simulations
Abstract: Snakebite envenoming is a neglected health threat impacting millions of people each year especially in tropical and subtropical countries. Ethnomedicinal plants are sources of various bioactive compounds and have been utilised by several tribes across the world for centuries. Aristolochia indica is a perennial herb mentioned in the Indian Ayurveda with a long history of use against snake venom, scorpion venom, fevers, rheumatic arthritis, liver ailments, leishmaniasis etc. The major …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 1, 2026 Read article
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Computational Fluid Dynamics Simulations of Horizontal Wellbore Cleaning and Cement Placement Processes in Drilling and Completions Engineering Applications
Abstract: Mathematical modeling and simulations of complex coupled processes require both robust and accurate physics-based techniques. Computational fluid dynamics (CFD) have been used extensively in a wide range of fields such as aerospace, automotive, and chemical processing industries to name a few. Typically, processes during drilling and completion of wells involve modeling of complex rheology fluids, turbulence modeling, multiphase phenomena, and heat transfer. Each individual process could possibly result in a …
Published in Journal of Petroleum Engineering & Technology · Vol. 2, Issue 1-3, 2012 · pp. 26–39 Read article
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Design and Control of Ethyl Acetate Production Process
Abstract: In this study, the design and control of ethyl acetate production plant has been investigated. The proposed design consists of a continuous-stirred tank reactor and two distillation columns. Ethanol reacts with acetic acid and gives ethyl acetate and water. Plant-wide operability and control of the entire process plant with decentralized controllers is explained by doing both steady state and dynamic simulations. Tray temperature control loop performance is tested for the …
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 1, 2015 · pp. 9–20 Read article
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Dissipative Particle Dynamics Simulation Study on the Evolution of Photoinitiated Free Radical Polymerization Crosslinked Networks
Abstract: Gradient polymer materials overcome the limitations of conventional homogeneous polymers by integrating multiple distinct functionalities within a single continuous structure. Although photoinitiated free-radical polymerization offers excellent spatial and temporal control, the underlying microscopic mechanisms governing network evolution under non-uniform light fields remain poorly understood. In this study, a mesoscale dissipative particle dynamics (DPD) model was successfully developed to couple free-radical polymerization kinetics—including initiation, propagation, crosslinking, and termination—with exponential light attenuation …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 142–158 Read article
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Dynamic Modeling and Simulation of Multi-Body Mechanical Systems: A Comprehensive Review of Methods, Tools, and Applications
Abstract: The dynamic modeling and simulation of multi-body mechanical systems (MBS) form a cornerstone in modern mechanical engineering, enabling in-depth analysis of the kinematic and kinetic behaviors of interconnected rigid and flexible components. MBS are foundational to a range of critical applications, from automotive suspensions and aerospace mechanisms to robotics and biomechanical structures. As system complexity and performance requirements increase, accurate and scalable modeling techniques are essential for both design validation …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 3, Issue 1, 2025 · pp. 35–42 Read article
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Drug Discovery and Design: Focus on computational approaches used in the discovery and design of new drugs
Abstract: Computational approaches have revolutionized the field of drug discovery and design, offering efficient and cost-effective strategies for identifying and developing new therapeutics. This review article explores the application of computational methods in drug discovery, with a focus on virtual screening techniques, molecular docking, molecular dynamics simulations, and quantitative structure-activity relationship (QSAR) models. Virtual screening plays a crucial role in narrowing down large chemical libraries by utilizing ligand-based and structure-based approaches. …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 1, 2023 · pp. 26–30 Read article
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Analysis of Bioinformatics Software Applied in Computer-Aided Drug Design
Abstract: The integration of bioinformatic tools with computational methods has revolutionized the field of Computer-aided Drug Design (CADD), enabling researchers to expedite the discovery and optimization of new therapeutics. This review provides an in-depth analysis of the bioinformatic tools utilized in CADD, encompassing molecular docking, molecular dynamics simulation, virtual screening, homology modelling, and molecular visualization. We go over the tenets, approaches, and uses of these instruments, emphasizing their value in expediting …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 1–10 Read article
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Dynamic Modelling, Simulation of Single-Link Flexible Robot Manipulator and its Control
Abstract: This paper presents the dynamic modelling of single link flexible manipulator based on Assumed Modes Method. Modelling of flexible robot manipulator is a challenging task because of its nonlinearity and complexity involved in the dynamics. Kinetic energy, potential energy, and dissipation energy are taken into consideration for dynamics modelling. The model is simulated using SIMULINK software by considering proper parameters and constants. Modelling dynamics is simulated by using two different …
Published in Journal of Control & Instrumentation · Vol. 5, Issue 3, 2014 · pp. 15–21 Read article
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article
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Simulation of Dynamic Voltage Restorer for Voltage Sag Mitigation
Abstract: In recent years, power quality is the major issue in transmission and distribution network. This paper concentrates on one of the power quality problem, such as voltage sag. A novel mitigation system is simulated using Dynamic voltage restorer (DVR). The proposed system is boosting the sagged phase voltage by deriving the voltages from other healthy phases. The system is designed with two ac chopper circuits and two transformers. The voltage …
Published in Trends in Electrical Engineering · Vol. 5, Issue 2, 2015 · pp. 7–13 Read article
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Comparative Study of various Commercially Available Programs in Slope Stability and Simulation of Dynamic Loading
Abstract: Analysis of slope stability is carried out to identify the most critical failure plane so as to minimize the occurrence of slope failures and landslides. It is always needed to give serious consideration before any construction or development is executed to ensure that the designed slopes remain stable. Slope failure can be determined through appropriate measurement of slope stability. In this study C-programming and GEO4 and Plaxis 2D software have …
Published in Recent Trends in Civil Engineering & Technology · Vol. 3, Issue 2, 2013 · pp. 16–30 Read article
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Binary Distillation Design and Control
Abstract: This paper discusses design and control strategies of binary distillation process using ASPEN PLUS V8.8 simulating tool. Steady state design procedure for binary distillation column design to separate acrolein and propylene is explained. Dynamic simulations were conducted by designing control structure. The developed control structure contains level controllers, pressure controllers and temperature controllers. The developed control structure has shown good performance in withstanding the various process disturbances.
Published in Emerging Trends in Chemical Engineering · Vol. 3, Issue 3, 2016 · pp. 19–25 Read article
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Reactive Distillation Design and Control
Abstract: This study deals with the design and control strategies of reactive distillation process. Steady state design including phase equilibrium and chemical equilibrium were studied. Dynamic simulations were conducted by designing control structure. The developed control structure contains level controller, pressure controller, temperature controller. The developed control structure has shown good performance in withstanding the various process disturbances
Published in Emerging Trends in Chemical Engineering · Vol. 3, Issue 3, 2016 · pp. 31–39 Read article
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Design and Control of Acrolein Production Process
Abstract: In this study, the design and control of acrolein production plant has been investigated. The proposed design consists of a reactor and two distillation columns. Propylene reacts with oxygen and produces acrolein, acrylic acid, carbon dioxide and water. Plant wide operability and control of the entire acrolein production plant with decentralized controllers are explained. Tray temperature control loop and composition control loop are designed to infer final product purity. From …
Published in Emerging Trends in Chemical Engineering · Vol. 1, Issue 2, 2014 · pp. 27–34 Read article
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A Review of Drug Design Techniques Assisted by Computers to Combat Diabetes
Abstract: Diabetes mellitus is a global health concern characterized by chronic hyperglycemia and associated complications. The creation of innovative medicines with enhanced efficacy and safety profiles continues to be a top focus, notwithstanding improvements in treatment. A useful method in drug development, computer-aided drug design (CADD) makes it easier to identify possible therapeutic candidates and optimise lead molecules. An extensive synopsis of CADD tactics used in the fight against diabetes is …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 1, 2025 · pp. 1–10 Read article
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Advanced Computational Models for Predicting Molecular Interactions
Abstract: Understanding molecular interactions is essential for a number of disciplines, including biochemistry, materials science, and medication development. Traditional experimental methods, while accurate, are often time-consuming and expensive. Advanced computational models have emerged as powerful tools to predict molecular interactions efficiently. In order to predict the behavior and interactions of molecules at the atomic and subatomic levels, this paper reviews the most recent developments in computational techniques, such as machine learning …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 8–13 Read article
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Overview of Ionic Polarization: A Model Based Novel Approach
Abstract: This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 18–25 Read article
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Modern Computer-aided Drug Design Methods: A Review
Abstract: Computer-aided drug design (CADD) has emerged as a crucial tool in the drug discovery process, offering a time-efficient and cost-effective approach to identifying potential drug candidates. This review aims to provide an overview of modern CADD methods, including high-throughput screening (HTS), structure-based drug design (SBDD), ligand-based drug design (LBDD), structure-based virtual screening (SBVS), and ligand-based virtual screening (LBVS). We discuss the basic principles, applicability, and limitations of each method, highlighting …
Published in Research and Reviews: A Journal of Dentistry · Vol. 15, Issue 2, 2024 · pp. 14–20 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article