GCMembrane-LLM: An Evidence-Grounded Domain-Specific Large Language Model for Structure-Performance Reasoning in...

Graphene and carbon nanotube (CNT) membranes are promising for filtration, desalination, and water treatment, yet their performance requires the joint interpretation of their architecture, nanoconfined transport, selectivity, fouling, swelling, defects, stability, and operating conditions. Here, GCMembrane-LLM was developed as an evidence-grounded domain-specific large language model. A curated 582-paper corpus generated 12,208 cleaned membrane-specific question-answer pairs for Low-Rank Adaptation (LoRA)-based supervised fine-tuning of Llama-3.1-8B-Instruct, and retrieval-augmented generation provided article-title and page-level traceability. GCMembraneBench included 100 application-oriented questions on graphene oxide (GO) membranes, CNT membranes, GO/CNT hybrids, and cross-material reasoning. Under direct answering without retrieval context, the anonymized and shuffled automatic evaluation showed that GCMembrane-LLM achieved a mean weighted score of 4.237/5.0, exceeding Llama-3.1-8B-Instruct and Doubao-1.5-lite. A stratified 30-question blinded manual assessment showed the same ranking. The application cases further yielded membrane science conclusions: CNT-assisted GO/CNT transport should be evaluated with dispersion, interfacial compatibility, defects, and stability; GO desalination depends on swelling control, interlayer spacing, and defect suppression; and CNT high flux requires joint examination of pore diameter, entrance chemistry, hydration barriers, ion rejection, and operating conditions. GCMembrane-LLM supports source-traceable evidence organization and preliminary hypothesis formulation before experimental validation.