A nonrandom lattice fluid hydrogen bonding theory for phase equilibria of associating systems

The excess enthalpies of the binary mixture composed of n-alkane (n-octane, n-nonane, n-decane) and 1-alkanol (ethanol, 1-propanol, 1-butanol) have been measured by using a flow-type isothermal microcalorimeter (model CSC 4400, Calorimetry Science Corp., USA) at 313.15 K under atmospheric pressure. The measured excess enthalpy data were correlated by the Redlich-Kister equation and the nonrandom lattice fluid with hydrogen bonding (NLF-HB) equation of state. Hydrogen bonding type specific parameters were introduced in the NLF-HB equation of state framework, and the effects of those parameters were investigated for excess enthalpy calculations. With two adjustable temperature-dependent interaction parameters, the NLF-HB equation represents the excess enthalpies for nine binary systems qualitatively.

“…Derivations and various aspects of NLF-HB EoS are given in the literature [4,5,[9][10][11]. In this paper, we will give only the final form of the expressions.…”

Section: Correlation Using Nlf-hb Equation Of Statesmentioning

confidence: 99%

“…The calculation results were not satisfactory, especially for mixtures with associated species. Recently, the NLF EoS [4,5] has been combined with hydrogen bonding statistics proposed by Veytzman [6] and proven to be an efficient method for vapor-liquid equilibrium calculations, including associated species [9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Correlation of measured excess enthalpies of binary systems composed of n-alkane+1-alkanol

Kwon

Kang

2009

“…Nonrandom lattice fluid equation of state (NLF EOS) was originally developed for the mixtures with large difference in molecular sizes [15,16]; this theory was extended to polar mixtures using hydrogen bond lattice statistics (NLF-HB EOS) [17]. This model has been tested for various types of systems [18].…”

Section: Introductionmentioning

confidence: 99%

Calculation of phase equilibrium for water+carbon dioxide system using nonrandom lattice fluid equation of state

Kwon

Lee

Kang

2010

For the geological sequestration of carbon dioxide to prevent global warming, the phase equilibrium data for water and carbon dioxide mixture play an important role in process design and operation. In this work, the nonrandom lattice fluid equation of state with hydrogen bonding (NLF-HB EOS) was applied for the prediction of phase equilibrium of mixtures containing water and carbon dioxide. A new set of pure component parameters for carbon dioxide above critical condition was found and optimum binary interaction parameters were reported to correlate mutual solubility of mixtures. The calculated results were compared with the Peng-Robinson Equation of State with the conventional mixing rule (PR-EOS) and the Wong-Sandler mixing rule (PR-WS-EOS). The calculation results show that NLF-HB EOS can correlate mutual solubility of water+carbon dioxide mixtures with reasonable accuracy within a single theoretical framework.

“…Kang and coworkers [2] have compared extensive VLE calculations results of an equation of state based on lattice theory with different types of EOS and concluded that all examined EOS provide a similar degree of accuracy for most systems including polymer solution. However, the scope of this work is the reliability and the performance of lattice EOS with hydrogen bonding [3][4][5][6] for binary VLE systems containing amines.…”

Section: Introductionmentioning

confidence: 99%

“…Hydrogen bonding partition functions were first introduced by Veytzman [8] and extended for the use together with equation of states by Sanchez and coworkers [9] and Yeom et al [5]. The lattice fluid equations of state with hydrogen bonding statistics possess the advantage of using only association-type-specific parameters for the specific group of components.…”

Section: Introductionmentioning

confidence: 99%

Vapor-liquid equilibrium correlations for systems containing amines using a lattice fluid equation of state with hydrogen bonding

Breitholz

Yoo

Lim

et al. 2008

Self Cite

The nonrandom lattice equation of state with hydrogen bonding (NLF-HB EOS) was examined for the correlation of vapor-liquid equilibria (VLE) for binary amine and hydrocarbon mixture at various temperatures. For these mixtures, the consideration of hydrogen bondings in the lattice equation of state clearly improves the prediction for VLE. The amines were divided into four groups due to the different strength of the hydrogen bonding. For all groups, different hydrogen bonding parameters were obtained and evaluated. The effects of varying hydrogen bonding energies for NLF-HB EOS are discussed. For systems containing lower amines, the NLF-HB EOS showed excellent agreement with the experimental data. For the correlation of systems containing tertiary amine molecules, binary interaction parameter had to be involved instead of hydrogen bonding parameters.