Flash point prediction of binary partially and totally miscible alcohol-water mixtures by various equation of states and experimental validation

Abstract

In the present article, the experimental flash points (FPs) of partially miscible and non-ideal mixtures including 3-pentanol + water, 2-pentanol + water, and 1-hexanol + water are reported for the first time. The measured FPs were predicted based on the vapor pressure concept and ‎thermodynamic equilibrium. The cubic-plus-association (CPA) equation of state (EoS) along with the CR-1 combining rule and Elliot combining rule (ECR) were used to investigate the non-ideality of investigated systems. In the following, the same method was used with the Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) EoSs to evaluate whether simpler EoSs can accurately predict the FPs of non-ideal mixtures. Therefore, in addition to 3-pentanol + water, 2-pentanol + water, and 1-hexanol + water, numerous totally and partially miscible aqueous-organic systems containing 1-pentanol, isobutanol, 2-butanol, 1-‎butanol, isopropanol, propanol, ethanol, and methanol were studied in terms ‎of FP prediction. The findings indicated that SRK is marginally more effective than PR. Moreover, ‎SRK EoS was almost as effective as the CPA EoS with the CR-1 combining rule. The CPA EoS ‎that used ECR, on the other hand, was far superior to the SRK and PR EoSs. To the best of our knowledge, CPA parameters for 2-pentanol, 3-pentanol, and 1-‎hexanol were calculated and reported for the first time.