On September 30, 2022, Tan, Tian; Cheng, Hongye; Chen, Guzhong; Song, Zhen; Qi, Zhiwen published an article.Application In Synthesis of N,N-Diethylacetamide The title of the article was Prediction of infinite-dilution activity coefficients with neural collaborative filtering. And the article contained the following:
Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibrium and process design is crucial. In this work, an exptl. γ∞ dataset containing 295 solutes and 407 solvents (21,048 points) is obtained through data integrating, cleaning, and filtering. The dataset is arranged as a sparse matrix with solutes and solvents as columns and rows, resp. Neural collaborative filtering (NCF), a modern matrix completion technique based on deep learning, is proposed to fully fill in the γ∞ matrix. Ten-fold cross-validation is performed on the collected dataset to test the effectiveness of the proposed NCF, proving that NCF outperforms the state-of-the-art phys. model and previous machine learning model. The completed γ∞ matrix makes solvent screening and extension of UNIFAC parameters possible. Taking two typical hard-to-sep. systems (benzene/cyclohexane and Me cyclopentane/n-hexane mixtures) as examples, the NCF-developed database provides high-throughput screening for separation systems in terms of solvent selectivity and capacity. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Application In Synthesis of N,N-Diethylacetamide
The Article related to prediction infinite dilution activity coefficient neural collaborative filtering, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Application In Synthesis of N,N-Diethylacetamide
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