Abstract: A GROMACS cloud computing process control method includes the following steps. Step (1): acquire crystal structures having energy ranked at the top by cluster ranking, and then obtain a GROMACS structural file. Step (2): acquire optimal force field parameters, and then automatically convert the optical force field parameters into a GROMACS force field parameter file. Step (3): import the yoda library function to automatically generate a corresponding GROMACS simulation parameter file according to simulation types in different stages. Step (4): import a mixc library function to submit GROMACS computation and analysis tasks to a task scheduling platform called Majorana. Step (5): add a corresponding monitor task for the same batch of tasks for each structure, and acquire the execution status of the tasks in real time. Step (6): acquire corresponding analysis results from ArangoDB after all the tasks are executed, and directly plot corresponding curves in Jupyter.

Abstract: The present invention provides a CT triaxial test apparatus for hydrate-bearing sediment, and belongs to the technical field of fundamental physical property measurement of geotechnical engineering. In the apparatus, aiming at the defects of the invention “a visual test apparatus for mechanical characteristics of natural gas hydrate-bearing sediment”, the CT triaxial test apparatus for hydrate-bearing sediment is redesigned and optimized, on the premise of obtaining static and dynamic mechanical characteristics and creep characteristics of a hydrate reservoir, the stability of the triaxial apparatus during rotation due to scanning, the temperature control accuracy of a hydrate-bearing sample, and the X-ray penetration performance of the pressure chamber of the triaxial apparatus are improved, an optimal CT imaging effect is obtained, and powerful hardware support is provided to ascertain the reservoir deformation mechanism during hydrate decomposition.

Abstract: The invention belongs to the technical field force fields and particularly provides an atom type definition system and an atom type matching method. The atom type definition system includes an atom type visual UI interface, an atom type matching module, an atom type data management module and an atom type format transformation module. The atom type data management module includes an atom type definition data package. The system and method can describe various complicated atomic chemical environments, the description capability is improved, and the computation of a force field can be more accurate. According to the invention, convenient operation on an atom type can be realized, and addition, deletion, modification, inquiry as well as statistics of multiple dimensions are very visual and convenient.

Abstract: A system for flue-gas hydrate-based desalination using LNG cold energy belongs to the field of hydrate technology application. The CO2 in the flue-gas is captured based on the hydrate formation. Two stage formation chambers are set to improve the hydrate formation. The two steps to purify the hydrates respectively are the gas separation and the liquid separation. The two methods of hydrate dissociation to realize the recycling of the waste heat of flue-gas and the CO2 are the heat-exchanged and the exhausted. The present invention realizes the integrated CO2 capture and seawater desalination with a proper structure and a subtle system and solves the cold energy source for hydrate-based desalination by means of using LNG cold energy. The two stage formation chambers solve the capture of CO2 in the flue-gas and guarantee the hydrate formation amounts. The two types of dissociation chambers decrease the heat emission by using the waste heat of flue-gas and realize the recycling and storage of CO2.

Abstract: A method for determining protonation states of a protein on the basis of constant-pH molecular dynamics simulation includes: calculating ?Gelec,ref of a reference compound; setting reasonable initial protonation states according to a simulation target pH value; performing constant-pH molecular dynamics simulation, and restricting positions of protein main chain atoms; setting amino acid residues with a protonation state proportion of higher than 99% or lower than 1% to be not titrated and other amino acid residues to be titrated, performing conventional constant-pH molecular dynamics simulation; setting amino acid residues with a protonation state proportion of higher than 90% or lower than 10% to be not titrated and other amino acid residues to be titrated, performing constant-pH molecular dynamics simulation under conditions of pH?0.5, pH?0.2, pH, pH+0.2, pH+0.5, respectively; performing Hill equation fitting to obtain a final pKa, wherein the protonation state can be determined by pKa.

Abstract: A GROMACS cloud computing process control method includes the following steps. Step (1): acquire crystal structures having energy ranked at the top by cluster ranking, and then obtain a GROMACS structural file. Step (2): acquire optimal force field parameters, and then automatically convert the optical force field parameters into a GROMACS force field parameter file. Step (3): import the yoda library function to automatically generate a corresponding GROMACS simulation parameter file according to simulation types in different stages. Step (4): import a mixc library function to submit GROMACS computation and analysis tasks to a task scheduling platform called Majorana. Step (5): add a corresponding monitor task for the same batch of tasks for each structure, and acquire the execution status of the tasks in real time. Step (6): acquire corresponding analysis results from ArangoDB after all the tasks are executed, and directly plot corresponding curves in Jupyter.

Abstract: The present invention discloses a fully visual flow loop system for studying hydrate blockage.

Abstract: The present invention provides a method of water flow erosion for marine gas hydrate exploitation. Based on the characteristics of higher permeability around gas hydrate exploitation well, controlling the seawater flow process by the pressure difference between hydrate reservoir and gas hydrate exploitation well. And the chemical potential difference between hydrate phase and water phase is the main driving factor for promoting the hydrate decomposition. Meanwhile, the salinity will increase and then the phase equilibrium temperature of hydrate will increase during seawater flow process. The water flow erosion accelerates the heat and mass transfer in hydrate reservoir to promote the efficient and complete decomposition and collection of hydrate. And the method of water flow erosion can decrease the risk of the geographical destruction caused by the large pressure drop. The present invention also provides the combination modes of water flow erosion with depressurization, thermal injection and other methods.

Abstract: Forms B and C of (R)—N-(4-chlorophenyl)-2-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide are stable under the conditions of light, high temperature and high humidity.

Abstract: A system for flue-gas hydrate-based desalination using LNG cold energy belongs to the field of hydrate technology application. The CO2 in the flue-gas is captured based on the hydrate formation. Two stage formation chambers are set to improve the hydrate formation. The two steps to purify the hydrates respectively are the gas separation and the liquid separation. The two methods of hydrate dissociation to realize the recycling of the waste heat of flue-gas and the CO2 are the heat-exchanged and the exhausted. The present invention realizes the integrated CO2 capture and seawater desalination with a proper structure and a subtle system and solves the cold energy source for hydrate-based desalination by means of using LNG cold energy. The two stage formation chambers solve the capture of CO2 in the flue-gas and guarantee the hydrate formation amounts. The two types of dissociation chambers decrease the heat emission by using the waste heat of flue-gas and realize the recycling and storage of CO2.

Abstract: The present application relates to polymorphs of Compound A: or a stereoisomer thereof, and methods of preparation and use thereof.

Abstract: A guide bushing of a palm hammer comprises a prism-shaped muzzle cover and a muzzle, wherein the muzzle cover and the muzzle are connected through bolts and joined into a body of the guide bushing; the body of the guide bushing may be axially moved in a bracket of the palm hammer; the parts of the muzzle cover and the muzzle near the distal gradually narrow into a chisel-shape; the proximal of the body of the guide bushing rests against a spring on the hammer body of the palm hammer; the body of the guide bushing axially moves in the bracket; a bore used for accommodating a nail and a driving rod is axially opened on the muzzle; one end of a bumper protrudes out of the distal of the body of the guide bushing.

Abstract: A palm hammer comprises a bracket, a hammer body and the guide bushing which comprises a prism-shaped muzzle cover and a muzzle, wherein the muzzle cover and the muzzle are connected through bolts and joined into a body of the guide bushing; the body of the guide bushing may be axially moved in a bracket of the palm hammer; the parts of the muzzle cover and the muzzle near the distal gradually narrow into a chisel-shape; the proximal of the body of the guide bushing rests against a spring on the hammer body of the palm hammer; the body of the guide bushing axially moves in the bracket; a bore used for accommodating a nail and a driving rod is axially opened on the muzzle; one end of a bumper protrudes out of the distal of the body of the guide bushing.

Abstract: A steam power generating system is provided with an inflow pipe, a split-flow member disposed rearward of a screw-plug with the inflow pipe passing through, a blocking member disposed rearward of the split-flow member, a cylindrical case disposed rearward of the blocking member, a thermal conductor in the case, a base disposed rearward of the case, a porous member disposed rearward of the base, a hollow cylinder secured onto the screw-plug, the split-flow member, the blocking member, the cylindrical case, and the porous member, a heat source around the cylinder, an insulation member around the heat source, a steam output disposed rearward of the porous member, a power conversion device disposed rearward of the steam output for receiving steam therefrom, and a cooling device interconnecting the power conversion device and a pump.

Abstract: An adapter for a flooring nail gun is provided with a muzzle member including at least one set of two inclined cavities; a moveable member including at least one set of two inclined protrusions at an end, the inclined protrusions being disposed in the inclined cavities; and a quick releasing device disposed on the inclined protrusions. The quick releasing device includes a pressing member, a spring member, and a lever, and wherein the pressing member and the muzzle member are joined, the lever and the pressing member are pivotably secured together, and the spring member has one end anchored at the pressing member and the other end pivotably secured to the lever. The moveable member can be opened for troubleshooting in case of malfunction.

Abstract: An adapter for a flooring nail gun is provided with a muzzle member including at least one set of two inclined cavities; a moveable member including at least one set of two inclined protrusions at an end, the inclined protrusions being disposed in the inclined cavities; and a quick releasing device disposed on the inclined protrusions. The quick releasing device includes a pressing member, a spring member, and a lever, and wherein the pressing member and the muzzle member are joined, the lever and the pressing member are pivotably secured together, and the spring member has one end anchored at the pressing member and the other end pivotably secured to the lever. The moveable member can be opened for troubleshooting in case of malfunction.

Abstract: A saturated water generating device includes a thermal receptor including a cavity inside, a liquid entrance connected into the cavity of the thermal receptor, a heat source, and a pillar disposed in the cavity of the thermal receptor. The heat source is used to heat the cavity of the thermal receptor. The pillar includes a plurality of tiny channels. The liquid is heated to generate saturated water in the tiny channels. Through the saturated water generating device, the high-temperature and high-pressure saturated water is generated by heating the high-pressure water, and then make the generated high-temperature and high-pressure saturated water explore instantly when it is heated, and then quickly intensive evaporation and formation of high-temperature and high-pressure steam flow as the power source.

Abstract: A saturated water generating device includes a thermal receptor including a cavity inside, a liquid entrance connected into the cavity of the thermal receptor, a heat source, and a pillar disposed in the cavity of the thermal receptor. The heat source is used to heat the cavity of the thermal receptor. The pillar includes a plurality of tiny channels. The liquid is heated to generate saturated water in the tiny channels. Through the saturated water generating device, the high-temperature and high-pressure saturated water is generated by heating the high-pressure water, and then make the generated high-temperature and high-pressure saturated water explore instantly when it is heated, and then quickly intensive evaporation and formation of high-temperature and high-pressure steam flow as the power source.

Abstract: A steam power generating system is provided with a thermal receptor including a cavity inside, an entrance of liquid and an exit of steam connected into the cavity of the thermal receptor, and a heat source wherein the heat source is used to heat the cavity of the thermal receptor; and a saturated water generating device and a saturated water explosive device both disposed inside the cavity of the thermal receptor. The entrance of liquid, the saturated water generating device, the saturated water explosive device, and the exit of steam are connected successively.

Abstract: A palm hammer comprises a bracket, a hammer body and the guide bushing which comprises a prism-shaped muzzle cover and a muzzle, wherein the muzzle cover and the muzzle are connected through bolts and joined into a body of the guide bushing; the body of the guide bushing may be axially moved in a bracket of the palm hammer; the parts of the muzzle cover and the muzzle near the distal gradually narrow into a chisel-shape; the proximal of the body of the guide bushing rests against a spring on the hammer body of the palm hammer; the body of the guide bushing axially moves in the bracket; a bore used for accommodating a nail and a driving rod is axially opened on the muzzle; one end of a bumper protrudes out of the distal of the body of the guide bushing.