TY - RPRT TI - From molecular to macroscopic: predicting liquid–liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood–Buff theory AU - Peroutka, Allison A. [Argonne National Laboratory (ANL), Lemont, IL (United States)] (ORCID:0000000310413653) AU - Stephenson, G. Brian [Argonne National Laboratory (ANL), Lemont, IL (United States)] (ORCID:0000000199843443) AU - Servis, Michael J. [Argonne National Laboratory (ANL), Lemont, IL (United States)] (ORCID:0000000224041865) PY - 2026 DO - 10.1039/d6sc03294j UR - https://www.osti.gov/biblio/3374504 ID - 3374504 ER -