vapor-liquid equilibrium in nh3-co2-h2o system at high pressures has been studied. the uniquac-nrf model for this system was extended by using the goppert 4 maurer reported datas. since the system contains molecules and ionic species the binary interaction parameters considered, where those are of molecule-molecule, molecule-ion and ion-ion types. these interaction parameters are taken as const...

the structural and energetic characteristics of o3–h2o complexes have been investigated by means of b3lyp, mp2, mp4(sdtq), ccsd(t) and qcisd(t) methods in conjunction with the aug-cc-pvdz and aug-cc-pvtz basis sets. six conformers were found for the o3–h2o complex. two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional o∙∙∙h hyd...

We carried out reversed piston-cylinder experiments on the equilibrium paragonite = jadeite + kyanite + H2O at 700 C, 1.5–2.5 GPa, in the presence of H2O-NaCl fluids. Synthetic paragonite and jadeite and natural kyanite were used as starting materials. The experiments were performed on four different nominal starting compositions: X(H2O)=1.0, 0.90, 0.75 and 0.62. Reaction direction and extent w...

Measurements of DSC, NMR and high-frequency spectroscopy have been done on PEO-H2O and PEO-H2O-HQ mixed systems. DSC measurements show that water molecules contained in PEO are divided roughly into two species: freezable water and non-freezable water. By 1H-NMR measurements, PEO and H2O protons show an absorption peak around 3.6 ppm and 4.5 ppm, respectively. All the PEO-H2O samples containing ...

Solvothermal reactions of the tricarboxylic acid ligand, biphenyl-3,3',5-tricarboxylic acid (H3bpta), and rare earth nitrate (Ln(NO3)3·6H2O) in the presence of KOH or DMF produced eight 1D linear coordination polymers, namely, [La(bpta)(H2O)5·(H2O)3]n (), [Pr(bpta)(H2O)5·(H2O)2.5]n (), [Nd(bpta)(H2O)5·(H2O)1.75]n (), [Sm(bpta)(H2O)5·(H2O)0.5]n () and [Ln(bpta)(DMF)(H2O)3·(H2O)]n [Ln = Eu (), Gd...

We investigated the microscopic solvation of NaBO2 in water by conducting photoelectron spectroscopy and ab initio studies on NaBO2 (H2O)n (n = 0–4) clusters. The vertical detachment energy (VDE) of NaBO2 is estimated to be 1.00 0.08 eV. The photoelectron spectra of NaBO2 (H2O)1 and NaBO2 (H2O)2 are similar to that of bare NaBO2 , except that their VDEs shift to higher electron binding energies...

Super- and sub-critical water treatments have been of interest as novel methods for protein hydrolysis. In the present study, we studied the effect of sub-critical water (Sub-H2O, 300℃, 80 bar) treatment as well as super-critical water (Super-H2O, 400℃, 280 bar) treatment on the physicochemical properties of porcine skin (PS), which has abundant collagen. Porcine skin was subjected to pre-therm...