TY - JOUR
T1 - Evaluation of PR, NRTL, UNIFAC, and PCSAFT on the VLE of Binary Systems Containing Ammonia
AU - Zhao, Yanxing
AU - Dong, Xueqiang
AU - Gong, Maoqiong
AU - Li, Huiya
AU - Zhong, Quan
AU - Shen, Jun
N1 - Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/3/1
Y1 - 2017/3/1
N2 - In this work, the evaluation of PR, NRTL, UNIFAC, and PCSAFT on the vapor-liquid phase equilibrium (VLE) of binary systems containing ammonia was carried out. An unexpected liquid-liquid phase separation occurs in VLE when applying the EoS mixing rules and some EoS/GE mixing rules to systems containing ammonia. Among all the mixing rules investigated, MHV1 is the only appropriate model. With the optimal mixing rule and UNIFAC model, the group parameters of ammonia and the group interaction parameters among -NH3, -CH3, -CH=CH2, -CF3, and -CHF2 were determined by regressing the VLE data. Better prediction was shown even than the PR-NRTL-MHV1 model. The theoretical PCSAFT EoS showed both advantages and disadvantages. It can predict the vapor-liquid-liquid phase equilibrium (VLLE) and VLE with only one interaction parameter once the successful regression of VLE data was done; however large deviations were displayed in ammonia + 1,1-difluoroethane/1-butene/pentafluoroethane systems.
AB - In this work, the evaluation of PR, NRTL, UNIFAC, and PCSAFT on the vapor-liquid phase equilibrium (VLE) of binary systems containing ammonia was carried out. An unexpected liquid-liquid phase separation occurs in VLE when applying the EoS mixing rules and some EoS/GE mixing rules to systems containing ammonia. Among all the mixing rules investigated, MHV1 is the only appropriate model. With the optimal mixing rule and UNIFAC model, the group parameters of ammonia and the group interaction parameters among -NH3, -CH3, -CH=CH2, -CF3, and -CHF2 were determined by regressing the VLE data. Better prediction was shown even than the PR-NRTL-MHV1 model. The theoretical PCSAFT EoS showed both advantages and disadvantages. It can predict the vapor-liquid-liquid phase equilibrium (VLLE) and VLE with only one interaction parameter once the successful regression of VLE data was done; however large deviations were displayed in ammonia + 1,1-difluoroethane/1-butene/pentafluoroethane systems.
UR - http://www.scopus.com/inward/record.url?scp=85026921501&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.6b04525
DO - 10.1021/acs.iecr.6b04525
M3 - Article
AN - SCOPUS:85026921501
SN - 0888-5885
VL - 56
SP - 2287
EP - 2297
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 8
ER -