Search results for "ilmakehätieteet"
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Supplementary data for the article "Predicting liquid-liquid phase separation in ternary organic-organic-water mixtures"
2023
Artikkelin "Predicting liquid-liquid phase separation in ternary organic-organic-water mixtures" lisäaineisto. The data set contains the supplementary data of the article "Predicting liquid-liquid phase separation in ternary organic-organic-water mixtures" published in Phys. Chem. Chem. Phys. The data includes cosmo-files used in the COSMOtherm calculations of the article.
Saturation vapor pressure characterization of selected low-volatility organic compounds using a residence time chamber
2023
Saturation vapor pressure (psat) is an important thermodynamic property regulating the gas-to-particle partitioning of organic compounds in the atmosphere. Low-volatility organic compounds (LVOCs), with sufficiently low psat values, primarily stay in the particle phase and contribute to aerosol formation. Obtaining accurate information on the psat of LVOCs requires volatility measurements performed at temperatures relevant to atmospheric aerosol formation. Here, we present an isothermal evaporation method using a residence time chamber to measure psat for dry single-compound nanoparticles at 295 K. Our method is able to characterize organic compounds with psat spanning from 10−8 to 10−4 Pa …
Supplementary data for the article "Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds in Atmospherically Relev…
2022
The data set contains the supplementary data of the article "Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds in Atmospherically Relevant Solutions" published in J. Phys. Chem. Lett., https://doi.org/10.1021/acs.jpclett.2c02612. The data includes: - A machine learning (EMLM) model for predicting chemical potentials of individual conformers of multifunctional organic compounds calculated by the COSMOtherm program - COSMO-files used for training and testing the EMLM model - Descriptors and chemical potentials used for the training and testing the model Artikkelin "Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds i…