Using Aspen simulation package to determine solubility of mixed salts in TRU waste evaporator bottoms

In order to explore co-production alternatives, a once-through process for CO2 hydrogenation to chemicals and liquid fuels was investigated experimentally. In this approach, two different catalysts were considered; the first was a Cu-based catalyst that hydrogenates CO2 to methanol and CO and the second a Fisher–Tropsch (FT) Co-based catalyst. The two catalysts were loaded into different reactors and were initially operated separately. The experimental results show that: (1) the Cu catalyst was very active in both the methanol synthesis and reverse-water gas shift (R-WGS) reactions and these two reactions were restricted by thermodynamic equilibrium; this was also supported by an Aspen plus simulation of an (equilibrium) Gibbs reactor. The Aspen simulation results also indicated that the reactor can be operated adiabatically under certain conditions, given that the methanol reaction is exothermic and R-WGS is endothermic. (2) the FT catalyst produced mainly CH4 and short chain saturated hydrocarbons when the feed was CO2/H2. When the two reactors were coupled in series and the presence of CO in the tail gas from the first reactor (loaded with Cu catalyst) significantly improves the FT product selectivity toward higher carbon hydrocarbons in the second reactor compared to the standalone FT reactor with only CO2/H2 in the feed.

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New developments in the GDIS simulation package: Integration of VASP and USPEX

Journal of Computational Chemistry ◽

10.1002/jcc.26697 ◽

2021 ◽

Author(s):

Hubert Okadome Valencia ◽

Busheng Wang ◽

Gilles Frapper ◽

Andrew Lloyd Rohl

Keyword(s):

New Developments ◽

Simulation Package

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Mixed Salts of Cobalt (II) with Ketoand Mercaptocarboxylic Acids – A Novel Potential Type of Antidote for Cyanides

Pharmaceutical Chemistry Journal ◽

10.1007/s11094-021-02331-1 ◽

2021 ◽

Vol 54 (11) ◽

pp. 1136-1139

Author(s):

V. Yu. Kovtun ◽

Yu. A. Davidovich ◽

V. D. Gladkikh ◽

S. V. Kozlov ◽

I. E. Chikunov ◽

...

Keyword(s):

Potential Type ◽

Mixed Salts

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Localization of Scattering Objects Using Neural Networks

Sensors ◽

10.3390/s21010011 ◽

2020 ◽

Vol 21 (1) ◽

pp. 11

Author(s):

Domonkos Haffner ◽

Ferenc Izsák

Keyword(s):

Neural Networks ◽

Plane Waves ◽

Measurement Data ◽

Scattered Wave ◽

Training Data ◽

Data Set ◽

Main Compound ◽

Incident Plane ◽

The Neural Networks ◽

Simulation Package

The localization of multiple scattering objects is performed while using scattered waves. An up-to-date approach: neural networks are used to estimate the corresponding locations. In the scattering phenomenon under investigation, we assume known incident plane waves, fully reflecting balls with known diameters and measurement data of the scattered wave on one fixed segment. The training data are constructed while using the simulation package μ-diff in Matlab. The structure of the neural networks, which are widely used for similar purposes, is further developed. A complex locally connected layer is the main compound of the proposed setup. With this and an appropriate preprocessing of the training data set, the number of parameters can be kept at a relatively low level. As a result, using a relatively large training data set, the unknown locations of the objects can be estimated effectively.

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Sustainable disposal of seawater brine by novel hybrid electrodialysis system: Fine utilization of mixed salts

Water Research ◽

10.1016/j.watres.2021.117335 ◽

2021 ◽

pp. 117335

Author(s):

Qing-Bai Chen ◽

Jianyou Wang ◽

Yu Liu ◽

Jinli Zhao ◽

Peng-Fei Li ◽

...

Keyword(s):

Mixed Salts

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The Dependence of Tensile Ductility on Investment Casting Parameters in Gamma Titanium Aluminides

MRS Proceedings ◽

10.1557/proc-552-kk2.1.1 ◽

1998 ◽

Vol 552 ◽

Author(s):

R. Raban ◽

L. L. ◽

T. M.

Keyword(s):

Titanium Aluminide ◽

Titanium Aluminides ◽

Tensile Ductility ◽

Gamma Titanium Aluminide ◽

Cooling Rates ◽

Gamma Titanium ◽

Investment Cast ◽

Thermal Data ◽

Titanium Aluminide Alloys ◽

Simulation Package

ABSTRACTPlates of three gamma titanium aluminide alloys have been investment cast with a wide variety of casting conditions designed to influence cooling rates. These alloys include Ti-48Al-2Cr-2Nb, Ti- 47Al-2Cr-2Nb+0.5at%B and Ti-45Al-2Cr-2Nb+0.9at%B. Cooling rates have been estimated with the use of thermal data from casting experiments, along with the UES ProCAST simulation package. Variations in cooling rate significantly influenced the microstructure and tensile properties of all three alloys.

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Simulation Research on Control Technology of Micro-Particle Adhesion to Surface

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.181-182.366 ◽

2011 ◽

Vol 181-182 ◽

pp. 366-371

Author(s):

Hui Liu ◽

Yan Qiang Li

Keyword(s):

Numerical Simulation ◽

Electrostatic Force ◽

Actual State ◽

Control Technology ◽

Particle Adhesion ◽

Adhesion Mechanism ◽

Simulation Research ◽

Mechanical Models ◽

Analysis Of Results ◽

Simulation Package

The micro particle brings much harm to some industrials, agriculture and human activities. The mechanical models of micro particle adhesion to the surface and the control, disposal technology have become very important for prevention from particle aggradations. For the sake of deeply comprehending and researching the adhesion mechanism as well as kinematics characteristic, numerical simulation of particle adhesion was made based on compute simulation package, the analysis of results and relevant comparison demonstrate that it can well simulate actual state and the results of simulation show that the capillary force (Fc) is the biggest, by contrast, the electrostatic force (Fes) is the smallest. Further more, it has some valuable instructions and helpful references for control of micro-particle adhesion to surface. At last, the outlook of issue was put forward.

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