Last modified: 2023-12-10 19:09:26
Time | Paper ID | Title / Authors | Keywords | Topic code | Ack. number |
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Hall Y, Day 1 | |||||
ST-26 [Trans-Division Symposium] The Mini International Symposium on "Molecular Thermodynamics and Molecular Simulation (MTMS) " Celebrating 150 Years of van der Waals Equation of State | |||||
(8:55–9:00) | |||||
Opening remark | |||||
(9:00–10:00) (Chair: | |||||
Y101 | [Invited lecture] 150 years with cubic equations of state: What have we learnt? | equation of state van der Waals 150 year | ST-26 | 196 | |
Y103 | [Invited lecture] Cubic equation of the van der Waals type applied for entropy-based solubility parameter (eSP) calculation | supercritical CO2 solubility parameter | ST-26 | 697 | |
(10:00–10:40) (Chair: | |||||
Y104 | [Invited lecture] Prediction of the interaction parameters between CO2 and organic solvent for the PR EoS using an ANN | Peng-Robinson Equation of State Artificial Neural Network | ST-26 | 197 | |
Y105 | [Invited lecture] Digital molecular surface properties for phase equilibrium calculation by cubic equation of state | cubic equation of state phase equilibrium | ST-26 | 338 | |
(10:40–12:00) (Chair: | |||||
Y106 | [Invited lecture] A Study on Prediction for Phase Equilibria of Mixed Ionic Liquid-CO2 System Using PC-SAFT Type Equation of State | Equation of state Ionic liquid Carbon dioxide | ST-26 | 478 | |
Y107 | [Invited lecture] Measurement and PC-SAFT modeling of solubilities of supercritical CO2 in functional polymers | Polymer Solubility PC-SAFT | ST-26 | 764 | |
Y108 | (withdrawn) | 100 | 713 | ||
(13:00–13:40) (Chair: | |||||
Y113 | [Invited lecture] Supercritical CO2 for sustainable chemical engineering: purification of recycled polyolefin to be use back as food grade packaging at industrial scale | supercritical co2 extraction | ST-26 | 695 | |
(13:40–14:40) (Chair: | |||||
Y115 | [Invited lecture] Enhancement of thermal conductivity of polymer based composite sheet and theoretical estimation | Thermal conductivity Polymer Composite | ST-26 | 333 | |
Y116 | [Invited lecture] Importance of physical properties of supercritical CO2 in materials preparation technology | supercritical CO2 RESS | ST-26 | 696 | |
Y117 | [Invited lecture] Supercritical Drying Process of Aerogels: Understanding Phase Equilibrium and Solvent-Substance Interactions | supercritical CO2 aerogel | ST-26 | 698 | |
SY-51 [Symposium of Division of Physical Properties] | |||||
(15:00–16:00) (Chair: | |||||
Y119 | [Featured presentation] A quantum chemical study for CO2-amine reaction toward designing gas separation liquids | chemical absorption quantum chemical calculation non-aqueous amine | SY-51 | 951 | |
Y120 | Correlation of Visocity for Hybrid Nanoparticle+Solvent+CO2 Mixtures | Nano Particle Viscosity Correlation Pressurized CO2 | SY-51 | 85 | |
Y121 | Correlation and Prediction of Excess Surface Tensions for Binary and Ternary Liquid Systems Using Activity Coefficient Equation | Surface Tension Excess Surface Tension Activity Coefficient Model | SY-51 | 86 | |
(16:00–17:20) (Chair: | |||||
Y122 | Density estimation of CO2 expanded liquids by molecular dynamics simulation | CO2 expanded liquid density simulation | SY-51 | 685 | |
Y123 | Study on CO2 capture for DMSO solutions of benzylamine and benzylmethylamine | benzylmethylamine CO2 capture 13C-NMR | SY-51 | 360 | |
Y124 | Carbon dioxide adsorption and desorption in ionic liquids by hollow fiber membranes | Ionic liquids Reaction rate Hollow fiber contactor | SY-51 | 1039 | |
Y125 | Simulation of CO2 Recovery by Seawater Containing Calcium from Waste Concrete | CO2 Recovery Simulation | SY-51 | 775 | |
Hall Y, Day 2 | |||||
(8:40–10:00) (Chair: | |||||
Y200 | Development of solubility correlation model for organic-inorganic hybrid nanoparticles based on solubility parameter | Nanoparticle Solubility parameter Thermodynamics | SY-51 | 366 | |
Y201 | PVT measurement of organically modified nanoparticles and evaluation of impact of organic modifier chain | Nanoparticles PVT Organic modifier chain | SY-51 | 60 | |
Y202 | CO2 solubility in deep eutectic solvents comprising ammonium bromide and carboxylic acids | carbon dioxide deep eutectic solvent solubility | SY-51 | 570 | |
Y203 | pvTx relationship of deep eutectic solvents comprising quaternary salts, ethylene glycol, and CO2 | carbon dioxide deep eutectic solvent pvTx relation | SY-51 | 574 | |
(10:00–10:40) (Chair: | |||||
Y204 | [Review lecture] Trend in Applications of Physical Property Estimation on Next Generation Process Simulators | physical property thermodynamics equation oriented | SY-51 | 142 | |
(10:40–12:00) (Chair: | |||||
Y206 | [Invited lecture] Proses Synthesis of Lorenz Cycle Power Generation using Zeotropic Binary Mixtures | prosess synthesis binary mixture simulation | SY-51 | 317 | |
Y207 | MODEL-BASED LOW GWP REFRIGERANT MIXTURE SCREENING FOR HEAT | heat pump lowGWP refrigerant process simuration | SY-51 | 757 | |
Y208 | Process design for CO2/CH4 separation of imidazolium- and ammonium-based protic ionic liquids | ionic liquid carbon dioxide process simulation | SY-51 | 161 | |
Y209 | Molecular dynamics simulation of density and dielectric constant for liquefied dimethyl ether + ethanol mixture | MD simulation dimethyl ether ethanol | SY-51 | 448 | |
(13:00–13:40) (Chair: | |||||
Y213 | [Review lecture] Proposal of Molecular Representation and Inference Methods for Biodegradability Prediction QSAR System | Decision support system biodegradation chemical descriptors | SY-51 | 182 | |
(13:40–15:00) (Chair: | |||||
Y215 | Predictive correlation of diffusion coefficient of vitamin K3 in CO2+organic solvent under pressure | dense mixture diffusion coefficient vitamin K3 | SY-51 | 1008 | |
Y216 | Measurement and modeling of adsorption equilibria of ketone VOCs in supercritical CO2 | Supercritical carbon dioxide Activated carbon Adsorption equilibria | SY-51 | 851 | |
Y217 | CO2 absorption properties of ammonium amino acid-based ionic liquids | amino acid ionic liquid carbon dioxide | SY-51 | 201 | |
Y218 | Investigation of quantitative evaluation of CO2 dissolution behavior in imidazolium-based ionic liquids by Raman spectroscopy | carbon dioxide Ionic Liquid Raman spectroscopy | SY-51 | 736 | |
(15:00–16:20) (Chair: | |||||
Y219 | [Invited lecture] Introduction to cooperation use of synchrotron radiation X-rays and neutrons | synchrotron radiation X-ray neutron quantum beam science | SY-51 | 87 | |
Y220 | Kinetic analysis of cocrystal formation and extraction of solvent effects by in situ Raman spectroscopy | cocrystal kinetic solvent effects in situ Raman spectroscopy | SY-51 | 170 | |
Y221 | Low temperature synthesis and atomization of zinc oxide particles by high pressure CO2 | zinc oxide particle high pressure CO2 low temperature synthesis | SY-51 | 414 | |
Y222 | Evaluation of dispersion and aggregation of organically- modified nanoparticle + organic solvent systems by cloud point method using laser scattering technique | Organically- modified nanoparticle Organic solvent Solubility | SY-51 | 754 | |
Hall Y, Day 3 | |||||
(8:40–9:40) (Chair: | |||||
Y300 | Neutrophil elastase inhibitors in fermented rice bran | extraction Neutrophil elastase inhibitor Rice bran | SY-51 | 566 | |
Y301 | Extraction of Rosmarinic Acid from Perilla leaves using Ultra Fine Bubble Water | Rosmarinic Acid Ultra Fine Bubble Water Extraction | SY-51 | 580 | |
Y302 | Solubility measurements by adding co-solvent for an improvement of the solubility of poorly water-soluble pharmaceutical compound flavokawain A | Solubility Cyclodextrin Pharmaceuticals | SY-51 | 276 | |
(9:40–10:40) (Chair: | |||||
Y303 | [Invited lecture] Weatherability of crystalline polymers | chmi-crystallization slow crack growth brittle fracture | SY-51 | 251 | |
Y304 | Analysis of dissolution mechanism using ATR-FTIR spectroscopic imaging for pharmaceutical cocrystal | IR spectroscopic imaging cocrystal dissolution analysis | SY-51 | 324 | |
Y305 | Enhancement of thermal conductivity for composite sheet consisting of mixed filler of graphite and carbon nano fiber / polyimide using magnetic field treatment | Thermal conductivity Polyimide Magnetic field | SY-51 | 214 | |
(10:40–12:00) (Chair: | |||||
Y306 | Phase equilibria of methane + carbon dioxide mixed gas hydrate system for carbon dioxide capture and storage | CCS clathrate hydrate equilibria | SY-51 | 311 | |
Y307 | Electrical conductivity in semiclathrate hydrates with different guest ions | Semiclathrate hydrate Proton conductivity Thermal storage material | SY-51 | 418 | |
Y308 | Gas separation properties by hydrates formed with symmetrically-distinct ionic guests | semiclathrate hydrates CO2 Recovery | SY-51 | 808 | |
Y309 | Flow pattern of CO2-TBAB hydrate slurry in a bubbling column type absorber | Semi-clathrate hydrate Agglomeration Flow pattern | SY-51 | 582 | |
(13:00–14:20) (Chair: | |||||
Y313 | [Invited lecture] Thermophysical Properties of Low GWP HFO-Refrigerant Blends | Thermophysical Properties HFO Refrigerant Blends Low GWP | SY-51 | 89 | |
Y314 | Density, viscosity, and boiling point pressure of carbon dioxide and aprotic polar solvent mixtures | carbon dioxide viscosity density | SY-51 | 604 | |
Y315 | Measurement of bubble point pressure for dimethyl ether + alcoxyethanol mixtures and its correlation by use of activity coefficient model | bubble point pressure dimethyl ether alcoxyethanol | SY-51 | 148 | |
Y316 | Measurement for water + α-pinene + 2-(2-hexyloxyethoxy)ethanol system | Liquid-liquid equilibria Terpene Non-ionic surfactant | SY-51 | 277 | |
Break | |||||
(14:40–16:00) (Chair: | |||||
Y318 | Measurement and correlation of boiling point pressure of carbon dioxide + aprotic polar solvent systems | Equation of state Vapor-liquid Equilibria | SY-51 | 585 | |
Y319 | Determination of vapor-liquid-equilibria for the systems 2-methyltetrahydrofuran + n-alkane | Vapor-liquid equilibria 2-Methyltetrahydrofuran n-Alkane | SY-51 | 645 | |
Y320 | Prediction of Vapor Pressure and Enthalpy of Vaporization with Extended Corresponding States Principle | Prediction Lydersen method Vapor pressure | SY-51 | 328 | |
Y321 | Prediction of Physical Properties by Deep Learning | Physical properties Prediction Deep learning | SY-51 | 687 | |
(16:00–17:00) (Chair: | |||||
Y322 | Special behaviour of polysaccharide aqueous solution from refractive index during microwave irradiation | microwave refractive index polysaccharide | SY-51 | 173 | |
Y323 | [No show] Comparison of solubility of nitrogen and oxygen in benzene and styrene based on solvation free energy calculations | MD simulation Solvation free energy Henrry constants | SY-51 | 442 | |
Y324 | Characterization of negative thermal expansion material zirconium tungstate phosphate system | Negative thermal expansion zirconium tungstate phosphate | SY-51 | 222 | |
(17:00–17:20) | |||||
Awards ceremony |
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SCEJ 54th Autumn Meeting (Fukuoka, 2023)