Predicting Limiting Activity Coefficients and Phase Behavior from Molecular Structure: Expanding MOSCED to Alkanediols Using Group Contribution Methods and Electronic Structure Calculations-Reference-Cited by-同舟云学术

Predicting Limiting Activity Coefficients and Phase Behavior from Molecular Structure: Expanding MOSCED to Alkanediols Using Group Contribution Methods and Electronic Structure Calculations

Published:2018-03-08 Issue:7 Volume:63 Page:2586-2598
ISSN:0021-9568
Container-title:Journal of Chemical & Engineering Data
language:en
Short-container-title:J. Chem. Eng. Data

Author:

Dhakal Pratik¹,Roese Sydnee N.¹,Lucas Maria A.¹,Paluch Andrew S.¹^ORCID

Affiliation:

1. Department of Chemical, Paper and Biomedical Engineering, Miami University, Oxford, Ohio 45056, United States

Funder

American Chemical Society Petroleum Research Fund

Office of Research for Undergraduates, Miami University

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jced.7b01080

Reference87 articles.

1. Estimation of Physical Properties

2. Group-contribution estimation of activity coefficients in nonideal liquid mixtures

3. Vapor-Liquid Equilibria by UNIFAC Group Contribution. Revision and Extension

4. Vapor-liquid equilibria by UNIFAC group contribution. 5. Revision and extension

5. A modified UNIFAC model. 1. Prediction of VLE, hE, and .gamma..infin.

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