• Korean Journal of Materials Research
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• v.26 no.4
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• pp.182-186
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• 2016

Zircon, having excellent thermal, chemical, and mechanical properties, is utilized in refractory materials, electronic materials, chemical machines, structural materials, etc. However, zircon generally shows thermal dissociation to zirconia($ZrO_2$) and silica($SiO_2$) around the sintering temperature of $1540^{\circ}C$, and when zircon particles are small and impurities are present, thermal dissociation is known to occur at around $1100^{\circ}C$. This reduces the mechanical properties of $ZrSiO_4$. In this research, the effect of adding $SiO_2$ and 3Y-TZP to $ZrSiO_4$ has been studied in order to suppress dissociation and improve the mechanical properties. Addition of $SiO_2$ suppressed the dissociation of $ZrSiO_4$ at lower temperatures. It also enabled optimum packing between the particles, resulting in a dense microstructure and good mechanical properties. When 3Y-TZP was added, recombination with the dissociated $SiO_2$ resulted in good mechanical properties by suppressing the generation of pores and the densification of the microstructure.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.35 no.11
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• pp.1177-1184
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• 2011

Gas-to-Solid (GTS) technology is composed of three stages: hydrate production, transportation, and regasification. For efficient operation of regasification plants, it is crucial to predict the temperature and flow rate of hot water necessary to dissociate the hydrate pellets. Dissociated gas escaping from the pellet surface, when in contact with hot water, will alter the flow field and consequently alter the heat transfer rate. Methane hydrate pellet dissociation characteristics in low- to moderatetemperature water were investigated by taking images of the changes in the hydrate pellets' shapes in a pressurized reactor and measuring the total time required for complete melting of the pellets. The effects of water temperature, hydrate conversion rate, and flow speed on the dissociation completion time were also investigated. Bubbling gas released from the pellet surface induced a secondary flow that enhanced the heat transfer rate and thus decreased the dissociation time. It was also found that a considerable flow rate was needed to significantly decrease the dissociation time.

• Current Applied Physics
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• v.18 no.12
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• pp.1528-1533
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• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• Korean Journal of Materials Research
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• v.21 no.4
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• pp.220-224
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• 2011

Zircon has excellent thermal, chemical, and mechanical properties, but it is hard to make a dense sintered product because of dissociation during the sintering process. This study analyzes how the addition of $SiO_2$ and $Al_2O_3$ affects the mechanical properties of sintered zircon, particularly in regards to reducing the thermal dissociation and improving the mechanical properties of $ZrSiO_4$. Zircon specimens containing different amounts of $SiO_2$ and $Al_2O_3$ were prepared and sintered to observe how the mechanical properties of $ZrSiO_4$ changed according to the differing amount of $SiO_2$ and $Al_2O_3$. The $ZrSiO_4$ that was used for the starting material was ground by ball mill to an average particle size of 3 ${\mu}m$. The $SiO_2$ and $Al_2O_3$ that was used for additives were ground to an average particle size of 3 ${\mu}m$ and 0.5 ${\mu}m$, respectively. Adding $SiO_2$ resulted in transformation in the liquid phase at high temperatures, which had little effect on suppressing the thermal dissociation but enhanced the mechanical properties of $ZrSiO_4$. When $Al_2O_3$ was added, the mechanical properties of $ZrSiO_4$ decreased due to the formation of pores and abnormal grains in the microstructure of the sintered zircon.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.347-358
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• 2014

본 논문에서는 양자 역학적 분자 동역학(Quantum Mechanical/Molecular Mechanical-Molecular Dynamics, QM/MM-MD)을 통해 수용액에 녹아 있는 Potassium Thiocyanate의 dynamics를 연구했다. Umbrella sampling technique을 활용하여 association/dissociation에 해당하는 Free energy surface를 구했다. 두 개의 Free energy minimum이 녹아 있는 두 이온의 center of mass 사이의 거리가 $4{\AA}$일 때와 $5{\sim}6{\AA}$ 부근일 때 나타났으며 $4{\AA}$일 때 더 안정 했다. 본 논문에서는 $4{\AA}$일 때를 Contact Ion Pair(CIP) $6{\AA}$일 때를 Dissociation Ion Pair(DlP)라고 칭했다. 이 minimum들이 무엇인 지를 밝혀 내기 위해 추가 연구를 수행하였다. Free energy 상에서 가장 안정 할 때(CIP) solute인 Potassium thiocyanate의 구조를 살펴 봤더니 Potassium ion은 Thiocyanate ion의 Sulfur보다 Nitrogen side를 선호하였다. 그 원인을 알아보기 위해 salvation shell의 구조를 Radial distribution function을 통해 살펴 봤더니 물 분자가 Nitrogen보다 Sulfur와 더 강한 상호작용을 하고 있었다. 그로 인해 Potassium ion이 Nitrogen을 선호한단 결과가 나온 것이다. 한편, 두 번째 minimum은 물 분자가 Potassium 이온과 Thiocyanate 이온 사이에 flexible하게 bridging을 하는 구조였다. 또한 단순 양자 계산을 통해서도 비슷한 구조를 얻을 수 있었다. 그러나 QM 계산은 0K에서 수행하는 것이기 때문에 엔트로피 효과가 없는 계산이지만 본 연구는 온도 300K로 실제 용매와 가깝게 수행함으로써 고정되어 있는 구조가 아니라 엔트로피와 엔탈피가 균형적으로 존재하는 실제 용액 속에서의 구조를 처음으로 보여주는 것이다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.28 no.10
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• pp.1155-1162
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• 2004

This paper is the forth paper of several companion papers which compare the method of Air-Fuel ratio determination. In the previous work, various AFR calculations were performed for various fuels and the results were compared with each other. The comparison, however, were limited to numerical value and estimation of each equation or method was insufficient. In this paper, the overall estimation of the methods was attempted. Also, the method of trouble shooting of instrumentation was presented. Through the estimation of methods, it is concluded that the Eltinge method contains inherently the most perfect thermal dissociation model as far as the exhaust composition is concerned; therefore, this might be regarded as the most general equation of AFR determination among the existing ones. The others might be considered as approximate form. In addition, the mal-distribution factor in Eltinge method is qualitatively equivalent to thermal dissociation chemical equilibrium constant K. Lastly, it is illustrated that all instrumentation error, including the sampling line leakage, can be easily detected through the analyzing the exhaust component on the Eltinge chart.

• Molecules and Cells
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• v.43 no.7
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• pp.591-599
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• 2020

Complex cell-to-cell communication underlies the basic processes essential for homeostasis in the given tissue architecture. Obtaining quantitative gene-expression of cells in their native context has significantly advanced through single-cell RNA sequencing technologies along with mechanical and enzymatic tissue manipulation. This approach, however, is largely reliant on the physical dissociation of individual cells from the tissue, thus, resulting in a library with unaccounted positional information. To overcome this, positional information can be obtained by integrating imaging and positional barcoding. Collectively, spatial transcriptomics strategies provide tissue architecture-dependent as well as position-dependent cellular functions. This review discusses the current technologies for spatial transcriptomics ranging from the methods combining mechanical dissociation and single-cell RNA sequencing to computational spatial re-mapping.

• Mass Spectrometry Letters
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• v.6 no.1
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• pp.7-12
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• 2015

In the present study, we proposed a simple ESI-MS model for determining $Zn^{2+}$ binding (or dissociation) constants for zinc finger peptides (ZFPs) with a unique ${\beta}{\beta}{\alpha}$ fold consensus. The ionization efficiency (response) factors for this model, i.e., ${\alpha}$ and ${\beta}$, could be determined for ZiCo ZFP with a known $Zn^{2+}$ binding constant. We could determine the binding constants for other ZFPs assuming those with a ${\beta}{\beta}{\alpha}$ consensus conformation have the same ${\alpha}/{\beta}$ response ratio. In general, the ZPF dissociation constants exhibited $K_d$ values of $10^{-7}{\sim}10^{-9}M$, while $K_d$ values for a negative control non-specific $Zn^{2+}$ peptides were high, e.g., $5.5{\times}10^{-6}M$ and $4.3{\times}10^{-4}M$ for BBA1 and melittin, respectively.

• Korean Journal of Materials Research
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• v.18 no.11
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• pp.604-609
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• 2008

The sintering behavior of zircon with silica was investigated. Zircon with 5 vol% of sedimentation $SiO_2$ resulted in the apparent density of $4.45\;g/cm^3$, the diametral tensile strength of $12.125\;kgf/cm^2$, and the micro Vickers hardness of 1283 HV. The dissociation temperature and mechanical characteristics of the $ZrSiO_4$ were changed with different kinds of $SiO_2$. $SiO_2$ addition prevented dissociation of $ZrSiO_4$. Zircon with 5 vol% of sedimentation $SiO_2$ and with 5 vol% of fused $SiO_2$ resulted in increased diametral tensile strength and increased micro Vickers hardness by suppression of $ZrSiO_4$ dissociation and low temperature liquid $SiO_2$ formation. Zircon with fumed $SiO_2$ and quartz $SiO_2$ resulted in decreased diametral tensile strength and decreased micro Vickers hardness because of cristobalite and quartz phase formation and high temperature liquid $SiO_2$ formation. Zircon with 10 vol% of $SiO_2$ resulted in decreased diametral tensile strength and decreased micro Vickers hardness because of weak particle coupling due to excess formation of liquid $SiO_2$.

• Tunnel and Underground Space
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• v.24 no.2
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• pp.143-154
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• 2014

In this study, we simulated both dissociation of gas hydrate and mechanical deformation of hydrate-bearing sedimentary formation using geomechanical model. The geomechanical model analysis consists of two distinct codes of TOUGH+Hydrate and FLAC3D. The model is characterized by the fact that changes of temperature, pressure, saturation and their influence on the consequent evolution of effective stress, stiffness and strength of hydrate-bearing sediments during gas production could be well simulated. We compared the results of simulation for two different production methods, and showed that combination of depressurization and thermal stimulation results in the enhancement of production rate especially at early stage. We also presented that the hydrate dissociation-induced geomechanical deformation in unconsolidated clay is much larger than that in sandstone.