Developing a Predictive Form of MOSCED for Nonelectrolyte Solids Using Molecular Simulation: Application to Acetanilide, Acetaminophen, and Phenacetin

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Ley, Ryan T.; Fuerst, Georgia B.; Redeker, Bryce N.; Paluch, Andrew S.;
(2016)
  • Publisher: Figshare
  • Related identifiers: doi: 10.1021/acs.iecr.5b04807.s003, doi: 10.1021/acs.iecr.5b04807.s002
  • Subject: data | Developmental Biology | simulation | Medicine | engineering design tool | Mo dified S eparation | Hematology | MOSCED parameters | Biochemistry | Pharmacology | C ohesive E nergy D ensity Model | Biophysics | dilution activity coefficients
    • FOR: 80699 Information Systems not elsewhere classified | 69999 Biological Sciences not elsewhere classified | 19999 Mathematical Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified

The <u>Mo</u>dified <u>S</u>eparation of <u>C</u>ohesive <u>E</u>nergy <u>D</u>ensity Model (MOSCED) is an efficient, analytic method to predict infinite dilution activity coefficients over a range of temperatures. Its predictability makes MOSCED an attractive ... View more
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