Relevant bibliographies by topics / PBPK simulator

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  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'PBPK simulator'

Author: Grafiati
Published: 5 June 2025
Last updated: 1 August 2025

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Journal articles on the topic "PBPK simulator"

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Cvijić, Sandra, Jelisaveta Ignjatović, Jelena Parojčić, and Svetlana Ibrić. "The emerging role of physiologically-based pharmacokinetic/biopharmaceutics modeling in formulation development." Arhiv za farmaciju 71, no. 4 (2021): 318–35. http://dx.doi.org/10.5937/arhfarm71-32479.

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Computer-based (in silico) modeling & simulation tools have been embraced in different fields of pharmaceutics for a variety of applications. Among these, physiologically-based pharmacokinetic/biopharmaceutics modeling (PBPK/PBBM) emerged as a particularly useful tool in formulation development. PBPK/PBBM facilitated strategies have been increasingly evaluated over the past few years, as demonstrated by several reports from the pharmaceutical industry, and a number of research and review papers on this subject. Also, the leading regulatory authorities have recently issued guidance on the u
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Sharma, Sonia, and David R. Taft. "PBPK Modeling of Acetaminophen in Pediatric Populations: Incorporation of SULT Enzyme Ontogeny to Predict Age-Dependent Metabolism and Systemic Exposure." Life 15, no. 7 (2025): 1099. https://doi.org/10.3390/life15071099.

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Sulfotransferase (SULT) enzymes contribute significantly to drug metabolism in pediatric patients. The purpose of this study was to develop a PBPK model for acetaminophen (APAP) in pediatric populations that accounts for the ontogeny of SULT isozymes that play a critical role in APAP metabolism. PBPK modeling and simulation were performed using the Simcyp® Simulator. The model incorporated the developmental ontogeny of three key hepatic SULT enzymes: SULT1A1, SULT1A3, and SULT2A1 using “best-fit” ontogeny equations for each isozyme as determined by nonlinear regression analysis of enzyme abund
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Yoon, Deok Yong, SeungHwan Lee, In-Jin Jang, et al. "Prediction of Drug–Drug Interaction Potential of Tegoprazan Using Physiologically Based Pharmacokinetic Modeling and Simulation." Pharmaceutics 13, no. 9 (2021): 1489. http://dx.doi.org/10.3390/pharmaceutics13091489.

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This study aimed to develop a physiologically based pharmacokinetic (PBPK) model of tegoprazan and to predict the drug–drug interaction (DDI) potential between tegoprazan and cytochrome P450 (CYP) 3A4 perpetrators. The PBPK model of tegoprazan was developed using SimCYP Simulator® and verified by comparing the model-predicted pharmacokinetics (PKs) of tegoprazan with the observed data from phase 1 clinical studies, including DDI studies. DDIs between tegoprazan and three CYP3A4 perpetrators were predicted by simulating the difference in tegoprazan exposure with and without perpetrators, after
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Kalsoom, Samia, Muhammad Fawad Rasool, Imran Imran, Hamid Saeed, Tanveer Ahmad, and Faleh Alqahtani. "A Comprehensive Physiologically Based Pharmacokinetic Model of Nadolol in Adults with Renal Disease and Pediatrics with Supraventricular Tachycardia." Pharmaceuticals 17, no. 2 (2024): 265. http://dx.doi.org/10.3390/ph17020265.

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Nadolol is a long-acting non-selective β–adrenergic antagonist that helps treat angina and hypertension. The current study aimed to develop and validate the physiologically based pharmacokinetic model (PBPK) of nadolol in healthy adults, renal-compromised, and pediatric populations. A comprehensive PBPK model was established by utilizing a PK-Sim simulator. After establishing and validating the model in healthy adults, pathophysiological changes i.e., blood flow, hematocrit, and GFR that occur in renal failure were incorporated in the developed model, and the drug exposure was assessed through
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Pei, Ling, Run Li, Hong Zhou, et al. "A Physiologically Based Pharmacokinetic Approach to Recommend an Individual Dose of Tacrolimus in Adult Heart Transplant Recipients." Pharmaceutics 15, no. 11 (2023): 2580. http://dx.doi.org/10.3390/pharmaceutics15112580.

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Tacrolimus is the principal immunosuppressive drug which is administered after heart transplantation. Managing tacrolimus therapy is challenging due to a narrow therapeutic index and wide pharmacokinetic (PK) variability. We aimed to establish a physiologically based pharmacokinetic (PBPK) model of tacrolimus in adult heart transplant recipients to optimize dose regimens in clinical practice. A 15-compartment full-PBPK model (Simbiology® Simulator, version 5.8.2) was developed using clinical observations from 115 heart transplant recipients. This study detected 20 genotypes associated with tac
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Rasool, Muhammad F., Sundus Khalid, Abdul Majeed, et al. "Development and Evaluation of Physiologically Based Pharmacokinetic Drug–Disease Models for Predicting Rifampicin Exposure in Tuberculosis and Cirrhosis Populations." Pharmaceutics 11, no. 11 (2019): 578. http://dx.doi.org/10.3390/pharmaceutics11110578.

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The physiologically based pharmacokinetic (PBPK) approach facilitates the construction of novel drug–disease models by allowing incorporation of relevant pathophysiological changes. The aim of the present work was to explore and identify the differences in rifampicin pharmacokinetics (PK) after the application of its single dose in healthy and diseased populations by using PBPK drug–disease models. The Simcyp® simulator was used as a platform for modeling and simulation. The model development process was initiated by predicting rifampicin PK in healthy population after intravenous (i.v) and or
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Jeong, Hyeon-Cheol, Min-Gul Kim, Zhuodu Wei, et al. "Integration of a Physiologically Based Pharmacokinetic and Pharmacodynamic Model for Tegoprazan and Its Metabolite: Application for Predicting Food Effect and Intragastric pH Alterations." Pharmaceutics 14, no. 6 (2022): 1298. http://dx.doi.org/10.3390/pharmaceutics14061298.

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A physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) model for tegoprazan and its major metabolite M1 was developed to predict PK and PD profiles under various scenarios. The PBPK model for tegoprazan and M1 was developed and predicted using the SimCYP® simulator and verified using clinical study data obtained after a single administration of tegoprazan. The established PBPK/PD model was used to predict PK profiles after repeated administrations of tegoprazan, postprandial PK profiles, and intragastric pH changes. The predicted tegoprazan and M1 concentration–time profiles fit the
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Alqahtani, Faleh, Abdullah H. Alruwaili, Mohammed S. Alasmari, et al. "A Physiologically Based Pharmacokinetic Model to Predict Systemic Ondansetron Concentration in Liver Cirrhosis Patients." Pharmaceuticals 16, no. 12 (2023): 1693. http://dx.doi.org/10.3390/ph16121693.

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Introduction: Ondansetron is a drug that is routinely prescribed for the management of nausea and vomiting associated with cancer, radiation therapy, and surgical operations. It is mainly metabolized in the liver, and it might accumulate in patients with hepatic impairment and lead to unwanted adverse events. Methods: A physiologically based pharmacokinetic (PBPK) model was developed to predict the exposure of ondansetron in healthy and liver cirrhosis populations. The population-based PBPK simulator PK-Sim was utilized for simulating ondansetron exposure in healthy and liver cirrhosis populat
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van Hove, Hedwig, Vera Bukkems, Damian Roelofsen, et al. "3 The exposure to and efficacy of doravirine in pregnant women as assessed by physiologically-based pharmacokinetic modelling." Archives of Disease in Childhood 108, no. 6 (2023): A1.3—A1. http://dx.doi.org/10.1136/archdischild-2023-esdppp.3.

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IntroductionDoravirine is currently not recommended for pregnant women living with HIV due to the lack of efficacy and safety data. Physiological changes during pregnancy can significantly decrease drug exposure, and, thereby, lower the efficacy. Awaiting clinical data, this study aimed to predict maternal and fetal doravirine exposure by integrating human placenta perfusion experiments with pregnancy physiologically-based pharmacokinetic (PBPK) modelling.MethodsAn existing and validated three-compartment PBPK model of doravirine for a healthy, non-pregnant population was modified to a 18-comp
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Witkowski, Jakub, Sebastian Polak, Dariusz Pawelec, and Zbigniew Rogulski. "In Vitro/In Vivo Translation of Synergistic Combination of MDM2 and MEK Inhibitors in Melanoma Using PBPK/PD Modelling: Part III." International Journal of Molecular Sciences 24, no. 3 (2023): 2239. http://dx.doi.org/10.3390/ijms24032239.

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The development of in vitro/in vivo translational methods and a clinical trial framework for synergistically acting drug combinations are needed to identify optimal therapeutic conditions with the most effective therapeutic strategies. We performed physiologically based pharmacokinetic–pharmacodynamic (PBPK/PD) modelling and virtual clinical trial simulations for siremadlin, trametinib, and their combination in a virtual representation of melanoma patients. In this study, we built PBPK/PD models based on data from in vitro absorption, distribution, metabolism, and excretion (ADME), and in vivo
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Dissertations / Theses on the topic "PBPK simulator"

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Adiwidjaja, Jeffry. "Understanding interindividual variability in response to anti-cancer drugs using modelling and simulation." Thesis, University of Sydney, 2020. https://hdl.handle.net/2123/23217.

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Long-term use of imatinib in patients with Philadelphia chromosome-positive (Ph+) chronic myeloid leukaemia (CML) is effective. Imatinib is given orally at a fixed daily dosing regimen (400 – 800 mg/day) in adult patients, despite evidence of large interindividual variability in systemic exposure. As the relationship between imatinib exposure (as trough concentrations or Css,min) and clinical outcomes (efficacy and safety) has been established, understanding the mechanisms underlying pharmacokinetic variability would be of clinical importance for dose optimisation in individual patients. Imati
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Codaccioni, Marc. "Évaluation de l’exposition fœtale aux substances chimiques grâce à la modélisation pharmacocinétique basée sur la physiologie (PBPK) et son application aux données d’imprégnation des populations." Thesis, Paris, Institut agronomique, vétérinaire et forestier de France, 2020. http://www.theses.fr/2020IAVF0019.

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Des études de biosurveillance ont montré l’exposition des femmes enceintes à des substances de synthèse. Parallèlement, plusieurs études épidémiologiques ont mis en évidence des associations entre des concentrations mesurées dans le sang des femmes enceintes ou dans le sang de cordon et des effets néfastes sur le nouveau-né comme sur sa santé plus tard dans la vie. Néanmoins, ce type de mesures n’offre pas la certitude d’être représentatif des expositions intra-utérines tout au long de la grossesse, et il n’est pas envisageable de mesurer longitudinalement les concentrations fœtales pour des r
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Moj, Daniel Andreas [Verfasser], and Thorsten [Akademischer Betreuer] Lehr. "Translational physiologically-based pharmacokinetic (PBPK) modeling and simulation to support drug development and pharmacotherapy / Daniel Andreas Moj ; Betreuer: Thorsten Lehr." Saarbrücken : Saarländische Universitäts- und Landesbibliothek, 2018. http://d-nb.info/1159900477/34.

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Moj, Daniel [Verfasser], and Thorsten [Akademischer Betreuer] Lehr. "Translational physiologically-based pharmacokinetic (PBPK) modeling and simulation to support drug development and pharmacotherapy / Daniel Andreas Moj ; Betreuer: Thorsten Lehr." Saarbrücken : Saarländische Universitäts- und Landesbibliothek, 2018. http://d-nb.info/1159900477/34.

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Olivares, Morales Andres. "Prediction of oral drug bioavailability : from animal-based extrapolation towards the application of physiologically-based pharmacokinetic modelling and simulation." Thesis, University of Manchester, 2016. https://www.research.manchester.ac.uk/portal/en/theses/prediction-of-oral-drug-bioavailability-from-animalbased-extrapolation-towards-the-application-of-physiologicallybased-pharmacokinetic-modelling-and-simulation(9a6e9a95-1727-4f06-829d-a96f763fd8c9).html.

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The majority of drugs available on the market are intended to be administered through the oral route. To achieve the desired therapeutic effect, an orally administered drug must first reach the systemic circulation and then its site of action. The fraction of the administered drug that reaches the systemic circulation is known as oral bioavailability and it is the product of the absorption and first-pass metabolism processes occurring in both the GI tract and the liver. The factors controlling bioavailability are manifold –both drug and physiologically related - and their complex interplay is
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Hanna, Bishoy. "DEVELOPMENT AND VALIDATION OF A SEMI-PHYSIOLOGICAL PHARMACOKINETIC (PBPK) MODEL TO PREDICT SYSTEMIC AND PULMONARY EXPOSURES AFTER INTRAVENOUS, ORAL ADMINISTRATION AND PULMONARY INHALATION OF SELECTED DRUGS, BUDESONIDE, TOBRAMYCIN AND CIPROFLOXACIN, IN HUMANS." VCU Scholars Compass, 2018. https://scholarscompass.vcu.edu/etd/5470.

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Using a semi-PBPK modeling/quantitative meta-analysis approach, this project investigated what factors affect pulmonary and systemic exposures of Budesonide (BUD), Tobramycin (TOB), and Ciprofloxacin (CIP) after inhalation: Three structurally different pulmonary disposition models were developed for each drug, including pulmonary absorption (all three), excretion (TOB and CIP) and sequestration (TOB) in a peripheral and central lung compartment. Systemic disposition parameters were estimated using available human mean plasma (cp(t)) and sputum (cs(t)) concentration profiles after IV administr
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Vaney, Marie-Christine. "Conception d'un logiciel interactif de graphisme et de simulation moleculaires : logiciel manosk; exemple d'application : modelisation de la structure tridimensionnelle de la "prostatic binding protein" (pbp)." Paris 6, 1986. http://www.theses.fr/1986PA066354.

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Vaney, Marie-Christine. "Conception d'un logiciel interactif de graphisme et de simulation moléculaires, logiciel MANOSK exemple d'application, modélisation de la structure tridimensionnelle de la "Prostatic Binding Protein" (PBP) /." Grenoble 2 : ANRT, 1986. http://catalogue.bnf.fr/ark:/12148/cb376017147.

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Leding, Albin. "Optimized design recommendation for first pharmacokinetic in vivo experiments for new tuberculosis drugs using pharmacometrics modelling and simulation." Thesis, Uppsala universitet, Institutionen för farmaci, 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-447311.

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Tuberculosis, the leading cause of death by a single infection disease caused by bacteria, requires long treatments and the bacteria are prone to develop drug resistance. Therefore, new efficient treatment regiments needs developing, which requires new tools for drug development. A major reason for discontinuance of a drug under development is undesired pharmacokinetic properties. Therefore, it is important to have early information of this, preferably the first time the drug is tested in animals. The first in vivo pharmacokinetic experiment is often done in mice and the only information prese
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川口, 智也. "湖沼流域における水生態系への環境リスク評価手法に関する研究". 京都大学 (Kyoto University), 2010. http://hdl.handle.net/2433/126815.

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Book chapters on the topic "PBPK simulator"

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Dressman, Jennifer, Stefan Willmann, and Rodrigo Cristofoletti. "Basic Principles of PBPK Modeling and Simulation." In The Art and Science of Physiologically-Based Pharmacokinetics Modeling. CRC Press, 2024. http://dx.doi.org/10.1201/9781003031802-2.

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Bois, Frédéric Y., Cleo Tebby, and Céline Brochot. "PBPK Modeling to Simulate the Fate of Compounds in Living Organisms." In Methods in Molecular Biology. Springer US, 2022. http://dx.doi.org/10.1007/978-1-0716-1960-5_2.

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Chang, S. H., Young Moo Heo, G. H. Shin, Young Min Lee, J. J. Kang, and T. S. Jung. "An Experimental Study on Flow Characteristics of PBK-40 for Glass Molding Press Simulation." In Optics Design and Precision Manufacturing Technologies. Trans Tech Publications Ltd., 2007. http://dx.doi.org/10.4028/0-87849-458-8.476.

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Saha, Gourab. "Computer Simulations in Pharmacokinetics and Pharmacodynamics." In Computer Aided Drug Development. THINKPLUS PHARMA PUBLICATIONS, 2024. http://dx.doi.org/10.69613/x2158555.

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Computer simulations have revolutionized the understanding and prediction of pharmacokinetic (PK) and pharmacodynamic (PD) processes in drug development. Advanced computational models integrate physiological parameters, drug properties, and patient characteristics to predict drug behavior in the body. These simulations employ complex mathematical algorithms to analyze drug absorption, distribution, metabolism, and excretion patterns while considering population variability. Modern PK/PD modeling incorporates artificial intelligence and machine learning to enhance prediction accuracy and optimi
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Skiadopoulos, Anastasios, Xander van Heule, Steven Lecompte, Michel De Paepe, and Dimitrios Manolakos. "Optimizing the performance of a hybrid Solar-Biomass micro-CHP system with a TFC engine as the prime mover for domestic applications." In Proceedings of the 7th International Seminar on ORC Power System (ORC 2023), 2024th ed. Editorial Universidad de Sevilla, 2024. http://dx.doi.org/10.12795/9788447227457_17.

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solar energy and biomass with a Trilateral Flash Cycle (TFC) engine as the prime mover is simulated and optimized in this work. The system is sized to meet the Space Heating (SH) demand of a typical multi-family building in Athens, Greece. Particular attention is paid to the challenging two-phase expansion phenomenon, the factor mainly affecting the efficiency of the TFC, under off-design and partial load conditions. Under optimized operating conditions, the average annual CHP efficiency, TFC thermal efficiency, and solar energy conversion efficiency were estimated to be 89.2%, 8.4%, and 4.3%,
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Ameddah, Hacene, and Hammoudi Mazouz. "3D Printing Analysis by Powder Bed Printer (PBP) of a Thoracic Aorta Under Simufact Additive." In Additive Manufacturing Technologies From an Optimization Perspective. IGI Global, 2019. http://dx.doi.org/10.4018/978-1-5225-9167-2.ch005.

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In recent decades, vascular surgery has seen the arrival of endovascular techniques for the treatment of vascular diseases such as aortic diseases (aneurysms, dissections, and atherosclerosis). The 3D printing process by addition of material gives an effector of choice to the digital chain, opening the way to the manufacture of shapes and complex geometries, impossible to achieve before with conventional methods. This chapter focuses on the bio-design study of the thoracic aorta in adults. A bio-design protocol was established based on medical imaging, extraction of the shape, and finally, the
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Ameddah, Hacene, and Hammoudi Mazouz. "3D Printing Analysis by Powder Bed Printer (PBP) of a Thoracic Aorta Under Simufact Additive." In Research Anthology on Emerging Technologies and Ethical Implications in Human Enhancement. IGI Global, 2021. http://dx.doi.org/10.4018/978-1-7998-8050-9.ch039.

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In recent decades, vascular surgery has seen the arrival of endovascular techniques for the treatment of vascular diseases such as aortic diseases (aneurysms, dissections, and atherosclerosis). The 3D printing process by addition of material gives an effector of choice to the digital chain, opening the way to the manufacture of shapes and complex geometries, impossible to achieve before with conventional methods. This chapter focuses on the bio-design study of the thoracic aorta in adults. A bio-design protocol was established based on medical imaging, extraction of the shape, and finally, the
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"The Application of PBPK Modeling, the Bayesian Approach, and the Utilization of Markov Chain Monte Carlo Simulation in Risk Assessment." In Toxicology and Risk Assessment. Jenny Stanford Publishing, 2015. http://dx.doi.org/10.1201/b18228-10.

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Conference papers on the topic "PBPK simulator"

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Hexy, Mary, Subha Hency Jose, and B. Ambikadevi. "PBPK Model Simulation study on Impact of Captrophil for Renal Impairment patients(RI)." In 2022 IEEE 7th International conference for Convergence in Technology (I2CT). IEEE, 2022. http://dx.doi.org/10.1109/i2ct54291.2022.9824181.

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Cascella, Vincenza, Monica Andreassen, Trine Husøy, Hubert Dirven, and Bernt Lie. "Modeling and Simulation of Triclosan Kinetics and Distribution in Humans Using PBPK Model." In The 59th Conference on imulation and Modelling (SIMS 59), 26-28 September 2018, Oslo Metropolitan University, Norway. Linköping University Electronic Press, 2018. http://dx.doi.org/10.3384/ecp18153148.

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Maharjan, Samee, Roshan Sharma, Trine Husøy, Hubert Dirven, Monica Andreassen, and Bernt Lie. "Modeling and Simulation of Triclosan Kinetics and Distribution in Humans Using a PBPK Model." In The 56th Conference on Simulation and Modelling (SIMS 56), October, 7-9, 2015, Linköping University, Sweden. Linköping University Electronic Press, 2015. http://dx.doi.org/10.3384/ecp15119279.

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Hu, R., J. Luo, B. Saboury, et al. "Personalized PBPK modeling can reduce uncertainty of the dose prediction in radiopharmaceutical therapy (RPT): a simulation study." In 2023 IEEE Nuclear Science Symposium, Medical Imaging Conference and International Symposium on Room-Temperature Semiconductor Detectors (NSS MIC RTSD). IEEE, 2023. http://dx.doi.org/10.1109/nssmicrtsd49126.2023.10338122.

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Ferreira, Cleiton Pons, Carina Soledad González González, and Fernando Moreira. "Learning Monitoring Model with Biometric Devices for Business Simulation Games: PBP Methodology." In 2023 18th Iberian Conference on Information Systems and Technologies (CISTI). IEEE, 2023. http://dx.doi.org/10.23919/cisti58278.2023.10211368.

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Milosevic, Jovan, and Olja Djordjic. "Jets in pp and PbPb collisions at LHC energies simulated within PYTHIA, HIJING and HYDJET++ models." In 4th international workshop High-pT physics at LHC 09. Sissa Medialab, 2010. http://dx.doi.org/10.22323/1.080.0044.

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Abubakar, Ahmad, and Carlos F.M. Almeida. "An Optimal Methodology for Sizing and Selection of Battery Energy Storage System in Standalone Solar PV Systems." In Congresso Brasileiro de Automática - 2020. sbabra, 2020. http://dx.doi.org/10.48011/asba.v2i1.1260.

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This paper presents a two-step cost-based method of optimally sizing and selecting BESS in standalone solar PV system applications considering predicted solar radiation data and economic performance (BESS cost analysis). The methodology is basically divided into two distinct parts; the first part is the sizing process and the second part is the selection process. In the first part, several BESS sizes suitable for a particular standalone PV system are determined using energy deficit and supply interruption outcomes of a PV system simulation with predicted hourly solar radiation series, hourly l
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Ferguson, Frederick, Dehua Feng, and Yang Gao. "Controlling the Flow Structures Within a Scramjet Isolator With Backpressure Manipulations." In ASME 2022 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/imece2022-96157.

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Abstract Potentially, for hypersonic access to space vehicles, the scramjet engine is the propulsion system of choice and will be required to operate in a variety of flight conditions. In many cases, the freestream dynamic pressure may be held constant, however, the Mach numbers may range from 4 to 12. Operating in such a broad Mach range, will in turn require the combustor to accommodate varying conditions. Computational Fluid Dynamics as an engineering tool has been used in this paper to analyze be fluid field physics within a scramjet isolator. Currently, with proven capability to diagnose
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