Simulation of the two-phase flow across tube bundle

Experiments on two-phase flow across an in-line tube bundle are analyzed with the STEG code, which has been developed for modeling thermal-hydraulic processes in a horizontal steam generator (SG). An adiabatic, vertical two-phase flows of air-water across horizontal in-line, 5 x 20 rod bundles, with a pitch-to-diameter ratio P/D=1.3 are considered, the mass velocity is varied in the range 27 - 818 kg/m2s. The calculated values of void fraction in the tube bundle are compared with the experimental ones measured by a gamma densitometer. A reasonable agreement between the calculations and the experimental data is obtained.

On the initial velocity of the glacial-stone material movement, the air-blast, the nature of the carrier medium and the range of action of sudden explosion-like gas-dynamic surge of the Kolka glacier

Начальная массовая скорость компактного движения выброшенного ледово-каменного материала ледника Колка, достигнутая на стадии газового ускорения в эпицентральной зоне взрывоподобного внезапного газодинамического выброса ледника, составляла около 300 м/с. Именно столь высокие значения величины начальной массовой скорости выброса основного количества ледово-каменного материала определили возможность образования сопутствовавшей выбросу ударной воздушной волны, которая и на большом расстоянии от эпицентра выброса (порядка 15 км) все еще имела значительную интенсивность. Воздушным был характер несущей среды для всего Геналдонского лавинообразного потока в пределах выделенной прежде всего по этому признаку зоны транзита на всем многокилометровом ее протяжении, а для начальной и основной стадий выброса – и за пределами этой зоны (до Скалистого хребта). Дальность же действия взрывоподобного внезапного газодинамического выброса ледника Колка 20 сентября 2002 года, безусловно, не ограничивалась лишь вместилищем ледника Колка или Колкинским цирком, как иногда полагают, а захватывала огромную территорию Колкинского и Геналдонского ущелий и была ограничена (да и то не полностью) лишь непреодолимой механической преградой Скалистого хребта. Цель работы. В плане сопоставления с взрывоподобными направленными газодинамическими выбросами ледников рассматривается вопрос об истории изучения направленных вулканических взрывов, установленных полстолетием ранее. Методы работы. Проведен анализ имеющихся данных и существующих походов их оценок. Результаты работы. Показана огромная мощность взрывоподобных направленных газодинамических выбросов ледника Колка, вполне сопоставимых в данном отношении с крупными направленными вулканическими взрывами. The initial mass velocity of the compact movement of the ejected glacial-stone material of the Kolka glacier, reached at the stage of gas acceleration in the epicentral zone of the sudden explosion-like gas-dynamic surge of the glacier, was about 300 m/s. Exactly such high values of the initial mass velocity of the surge of the main amount of glacial-stone material that determined the possibility of the formation of an accompanying ejection of the air-blast, which had a significant intensity even at a great distance from the surge epicenter (about 15 km). The nature of the carrier medium for the entire Genaldon avalanche flow was aerial within the transit zone distinguished primarily according this character along its entire length of many kilometers; and for the initial and main stages of the surge the nature was the same outside this zone (up to the Skalisty (Rocky) Ridge). The range of action of the sudden explosion-like gas-dynamic surge of the Kolka glacier on September 20, 2002, was certainly not limited only by the reservoir of the Kolka glacier or the Kolka cirque, as it is sometimes supposed, but captured the vast territory of the Kolka and Genaldon gorges and was limited (and even then not completely) only by the insurmountable mechanical barrier of the Skalisty (Rocky Ridge). Aim. In terms of the comparison with explosion-like directional gas-dynamic surges of glaciers, the article considers an issue of the history of study of directional volcanic explosions determined half a century earlier. Methods. The analysis of the available data and the existing approaches for their assessments was carried out. Results. The results of the work show the enormous power of explosion-like directed gas-dynamic surges of the Kolka glacier, which are quite comparable in this respect with large directed volcanic explosions.

Momentum Removal to Obtain the Position-Dependent Diffusion Constant in Constrained Molecular Dynamics Simulation

<div>The position-dependent diffusion coefficient along with free energy profile are important parameters needed to study mass transport in heterogeneous systems such as biological and polymer membranes, and molecular dynamics (MD) calculation is a popular tool to obtain them. Among many methodologies, the Marrink-Berendsen (MB) method is often employed to calculate the position-dependent diffusion coefficient, in which the autocorrelation function of the force on a fixed molecule is related to the friction on the molecule. However, the diffusion coefficient is shown to be affected by the period of the removal of the center-of-mass velocity, which is necessary when performing MD calculations using the Ewald method for Coulombic interaction. We have clarified theoretically in this study how this operation affects the diffusion coefficient calculated by the MB method, and the theoretical predictions are proven by MD calculations. Therefore, we succeeded in providing guidance on how to select an appropriate the period of the removal of the center-of-mass velocity in estimating the position-dependent diffusion coefficient by the MB method. This guideline is applicable also to the Woolf-Roux method.</div>

Momentum Removal to Obtain the Position-Dependent Diffusion Constant in Constrained Molecular Dynamics Simulation

<div>The position-dependent diffusion coefficient along with free energy profile are important parameters needed to study mass transport in heterogeneous systems such as biological and polymer membranes, and molecular dynamics (MD) calculation is a popular tool to obtain them. Among many methodologies, the Marrink-Berendsen (MB) method is often employed to calculate the position-dependent diffusion coefficient, in which the autocorrelation function of the force on a fixed molecule is related to the friction on the molecule. However, the diffusion coefficient is shown to be affected by the period of the removal of the center-of-mass velocity, which is necessary when performing MD calculations using the Ewald method for Coulombic interaction. We have clarified theoretically in this study how this operation affects the diffusion coefficient calculated by the MB method, and the theoretical predictions are proven by MD calculations. Therefore, we succeeded in providing guidance on how to select an appropriate the period of the removal of the center-of-mass velocity in estimating the position-dependent diffusion coefficient by the MB method. This guideline is applicable also to the Woolf-Roux method.</div>

Chemical dynamics study on the gas-phase reaction of the D1-silylidyne radical (SiD; X2Π) with deuterium sulfide (D2S) and hydrogen sulfide (H2S)

Center-of-mass velocity flux contour map for the reaction of the D1-silylidyne radical (SiD) with deuterium sulfide (D2S) leading to the gas-phase formation of D2-silanethione (D2SiS).