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- Xiaoyan Ji, Sugata P Tan, Hertanto Adidharma, Maciej Radosz
- The journal of physical chemistry. B
- 2006

Statistical associating fluid theory coupled with restricted primitive model (SAFT2) represents the properties of aqueous multiple-salt solutions, such as brine/seawater. The osmotic coefficients, densities, and vapor pressures are predicted without any additional parameters using the salt hydrated diameters obtained for single-salt solutions. For a given… (More)

- Sugata P Tan, Xiaoyan Ji, Hertanto Adidharma, Maciej Radosz
- The journal of physical chemistry. B
- 2006

Statistical associating fluid theory coupled with the restricted primitive model is extended to multivalent ions by relaxing the range of the square-well width parameter, which leads to a new dispersion term approximation and calls for a new set of salt and ion parameters. This new approximation, referred to as SAFT2, requires a single set of parameters… (More)

- Hao Jiang, Hertanto Adidharma
- The Journal of chemical physics
- 2014

The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing… (More)

- Hertanto Adidharma, Sugata P Tan
- The Journal of chemical physics
- 2016

Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T(∗) ≤ 1.20) and high densities (0.96 ≤ ρ(∗) ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to… (More)

The performance of 1-ethyl-3-methylimidazolium chloride (EMIM-Cl), one of novel ionic liquid inhibitors for gas hydrate, in inhibiting methane hydrate at low and high ionic liquid concentrations is investigated in a pressure range of 10–20 MPa. Experiments on methane hydrate dissociation conditions in the presence of mixed ionic liquid and conventional… (More)

- Qingli Tang, Zhemin Shen, +4 authors Maohong Fan
- Physical chemistry chemical physics : PCCP
- 2017

Catalytic carbon dioxide (CO2) hydrogenation to liquid fuels including methanol (CH3OH) has attracted great attention in recent years. In this work, density functional theory (DFT) calculations have been employed to study the reaction mechanisms of CO2 hydrogenation to CH3OH on Ga3Ni5(221) surfaces. The results show that all intermediates except for the O… (More)

In this work we extend the crossover (CR) modification of the statistical-associating-fluid-theory (SAFT) equation of state (EOS), recently developed and applied for non-associating systems [Ind. Eng. Chem. Res. 38 (1999) 4993] to associating fluids. Unlike the previous crossover EOS that was based on the parametric linear model for the universal crossover… (More)

Polystyrene-block-polyisoprene forms micelles in supercritical and subcritical propane upon cooling and decompression. These micelles decompose upon heating and compression. At constant polymer concentration, the micellization points, both isobaric and isothermal, fall around a decreasing boundary curve in pressuretemperature coordinates. This micellization… (More)

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