ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant

Devanand, Aravind; Karmakar, Gourab; Krdžavac, Nenad; Farazi, Feroz; Lim, Mei Qi; Eddy, Yi Shyh Foo; Karimi, Iftekhar A.; Kraft, Markus

doi:10.1016/j.compchemeng.2021.107556

Cited by 4 publications

(5 citation statements)

References 33 publications

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“…57 This has also been coupled with OntoTwin, an ontology that allows cross-domain coupling. 58 Ontologies for semantic smart city planning by utilizing 3D models include OntoCityGML 59 and the Weather Ontology. 60 Finally, several ontologies have been developed in the chemistry domain to describe different types of chemical data.…”

Section: Methodsmentioning

confidence: 99%

“…In the process engineering and industrial domains, this includes the well-established OntoCAPE, an ontology for computer aided process engineering that has been integrated into TWA as well as OntoEIP for describing the functions and interactions underlying eco-industrial parks. − In energy and power systems, OntoPowerSys was developed to describe electrical power systems that support industrial plans . This has also been coupled with OntoTwin, an ontology that allows cross-domain coupling . Ontologies for semantic smart city planning by utilizing 3D models include OntoCityGML and the Weather Ontology .…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Chemical Species Ontology for Data Integration and Knowledge Discovery

Pascazio,

Rihm,

Naseri

et al. 2023

J. Chem. Inf. Model.

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Web ontologies are important tools in modern scientific research because they provide a standardized way to represent and manage web-scale amounts of complex data. In chemistry, a semantic database for chemical species is indispensable for its ability to interrelate and infer relationships, enabling a more precise analysis and prediction of chemical behavior. This paper presents OntoSpecies, a web ontology designed to represent chemical species and their properties. The ontology serves as a core component of The World Avatar knowledge graph chemistry domain and includes a wide range of identifiers, chemical and physical properties, chemical classifications and applications, and spectral information associated with each species. The ontology includes provenance and attribution metadata, ensuring the reliability and traceability of data. Most of the information about chemical species are sourced from PubChem and ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a SPARQL end point. The paper presents example use cases to demonstrate the contribution of OntoSpecies in solving complex tasks that require integrated semantically searchable chemical data. The approach presented in this paper represents a significant advancement in the field of chemical data management, offering a powerful tool for representing, navigating, and analyzing chemical information to support scientific research.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Chemical Species Ontology for Data Integration and Knowledge Discovery

Pascazio,

Rihm,

Naseri

et al. 2023

J. Chem. Inf. Model.

Self Cite

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“…The World Avatar project aims to create a dynamic world model that is generic and all-encompassing, with a focus so far geared toward the decarbonization of energy and the process industries (Pan et al, 2015(Pan et al, , 2016Kleinelanghorst et al, 2017;Zhang et al, 2017;Devanand et al, 2020Devanand et al, , 2021Atherton et al, 2021), Data-Centric Engineering e3-3 city planning (Chadzynski et al, 2021;von Richthofen et al, 2021), and chemistry (Krdzavac et al, 2019;Farazi et al, 2020a;Mosbach et al, 2020;Zhou et al, 2021). The world model is implemented as a dynamic knowledge graph that is built using Semantic Web technologies.…”

Section: The World Avatarmentioning

confidence: 99%

“…The design of the World Avatar has been demonstrated as one way to implement a comprehensive Universal Digital Twin, for example a digital twin of the UK (Akroyd et al, 2021). The design confers a number of advantages which include the adoption of a distributed architecture that supports a uniform interface to query multiple data sources, the ability to use logical reasoning to verify the consistency of semantic models (Devanand et al, 2021), and a mechanism that allows computational agents to interact to answer questions (Zhou et al, 2019(Zhou et al, , 2020. The use of Linked Data helps address ambiguity, facilitates the discovery and reuse of information and enables the linking of related information.…”

Section: A Universal Digital Twinmentioning

confidence: 99%

Universal Digital Twin: Land use

Akroyd

Harper

Soutar

et al. 2022

DCE

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This article develops an ontological description of land use and applies it to incorporate geospatial information describing land coverage into a knowledge-graph-based Universal Digital Twin. Sources of data relating to land use in the UK have been surveyed. The Crop Map of England (CROME) is produced annually by the UK Government and was identified as a valuable source of open data. Formal ontologies to represent land use and the geospatial data arising from such surveys have been developed. The ontologies have been deployed using a high-performance graph database. A customized vocabulary was developed to extend the geospatial capabilities of the graph database to support the CROME data. The integration of the CROME data into the Universal Digital Twin is demonstrated in two use cases that show the potential of the Universal Digital Twin to share data across sectors. The first use case combines data about land use with a geospatial analysis of scenarios for energy provision. The second illustrates how the Universal Digital Twin could use the land use data to support the cross-domain analysis of flood risk. Opportunities for the extension and enrichment of the ontologies, and further development of the Universal Digital Twin are discussed.

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“…The expressive power of ontologies means that the knowledge graph can represent and integrate data for almost anything. The applications of the World Avatar to date have focused on decarbonization (Pan et al 2015, 2016; Kleinelanghorst et al, 2017; Zhang et al, 2017; Devanand et al, 2020, 2022), city planning (Chadzynski et al, 2021; von Richthofen et al, 2021) and chemistry (Farazi et al, 2019; Krdzavac et al, 2019; Mosbach et al, 2020). These examples illustrate the ability of the World Avatar to integrate models and data across different length scales and technical domains, ranging from the subatomic length scales of quantum chemistry calculations (Farazi et al, 2020) to the application of the results of these calculations in city-scale atmospheric dispersion calculations (Mosbach et al, 2020).…”

Section: Introductionmentioning

confidence: 99%

Universal Digital Twin: Integration of national-scale energy systems and climate data

Savage

Akroyd

Mosbach

et al. 2022

DCE

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This article applies a knowledge graph-based approach to unify multiple heterogeneous domains inherent in climate and energy supply research. Existing approaches that rely on bespoke models with spreadsheet-type inputs are noninterpretable, static and make it difficult to combine existing domain specific models. The difficulties inherent to this approach become increasingly prevalent as energy supply models gain complexity while society pursues a net-zero future. In this work, we develop new ontologies to extend the World Avatar knowledge graph to represent gas grids, gas consumption statistics, and climate data. Using a combination of the new and existing ontologies we construct a Universal Digital Twin that integrates data describing the systems of interest and specifies respective links between domains. We represent the UK gas transmission system, and HadUK-Grid climate data set as linked data for the first time, formally associating the data with the statistical output areas used to report governmental administrative data throughout the UK. We demonstrate how computational agents contained within the World Avatar can operate on the knowledge graph, incorporating live feeds of data such as instantaneous gas flow rates, as well as parsing information into interpretable forms such as interactive visualizations. Through this approach, we enable a dynamic, interpretable, modular, and cross-domain representation of the UK that enables domain specific experts to contribute toward a national-scale digital twin.

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ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant

Cited by 4 publications

References 33 publications

Chemical Species Ontology for Data Integration and Knowledge Discovery

Chemical Species Ontology for Data Integration and Knowledge Discovery

Universal Digital Twin: Land use

Universal Digital Twin: Integration of national-scale energy systems and climate data

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