Digital Twin Supported FAIR Electronic Lab Notebooks for Simulated Experiments

Research output: Contribution to book/Conference proceedings/Anthology/Report › Conference contribution › Contributed › peer-review

Abstract

The use of equipment digital twins of standardized, multi-purpose units can accelerate process development and reduce experimental effort. Experimental data are essential not only for identifying critical process parameters and enabling model-based methods within a Quality by Design framework, but also for constructing and validating the simulation models that describe digital twin behavior. To achieve high-fidelity and robust predictive models, structured concepts are required to manage metadata and process-, product-, and resource-specific information exchanged between physical and digital twins. Electronic lab notebooks (ELNs), which contextualize experimental data, must therefore be structured and standardized to ensure interoperability and seamless data exchange. For integration into digital twin workflows and process transfer between equipment instances of the same category, ELNs must comply with FAIR (Findable, Accessible, Interoperable, Reusable) data principles. This work proposes a Semantic Integration Pattern for FAIR-compliant ELNs to document simulated experiments using domain-specific, vendor-independent standards such as DEXPI 2.0 and ISA 88/IEC 61512-1. DEXPI 2.0 supports standardized descriptions of equipment and process steps, while ISA 88/IEC 61512-1 structures experimental recipes. The resulting FAIR ELN Semantic Integration Pattern enables standardized data exchange between ELNs and digital twin tools. Its applicability is demonstrated through an illustrative example documenting simulated saponification experiments in gPROMS® using simple batch reactor model. The results will support subsequent real experiments conducted in a 2L stirred tank unit.

Details

Original languageEnglish
Title of host publicationProceedings of the 36th European Symposium on Computer Aided Process Engineering (ESCAPE 36)
PublisherPSE Press
Pages1786-1792
Number of pages7
ISBN (print)978-1-7779403-5-5
Publication statusPublished - 19 Jun 2026
Peer-reviewedYes

Publication series

SeriesSystems and Control Transactions
Number2026
Volume5
ISSN2818-4734

External IDs

ORCID /0000-0002-5814-5128/work/220700434
ORCID /0009-0009-4740-0590/work/220701822
Mendeley 0d17a287-bbb1-3ca8-9ec4-14b504e41ad3
unpaywall 10.69997/sct.119476

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