CN100442300C - Method for implementing data resource platform of fluid physical and chemical properties based on network - Google Patents
Method for implementing data resource platform of fluid physical and chemical properties based on network Download PDFInfo
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- CN100442300C CN100442300C CNB2006100416135A CN200610041613A CN100442300C CN 100442300 C CN100442300 C CN 100442300C CN B2006100416135 A CNB2006100416135 A CN B2006100416135A CN 200610041613 A CN200610041613 A CN 200610041613A CN 100442300 C CN100442300 C CN 100442300C
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Abstract
The present invention provides an achieving method for a data resource platform of fluid physical and chemical properties based on a network. The data of the fluid physical properties is divided into four classes of physical property calculation data, molecular simulation data, physical property estimated data and physical property inquiry data; the four classes of the data of the fluid physical and chemical properties are programmed by using a computer technique and a network technique; the data is shared via a system network in a B/S mode on the foundation; the present invention achieves the data resource platform of the fluid physical and chemical properties based on the network by fully using network computing resources such as China Grid, etc. and combining the foundation of a test experiment system of fluid thermal properties with the present invention. The present invention provides a networking acquisition method of the physical property data for broad scientific and technological workers and engineering people.
Description
Technical field
The present invention relates to the realization of Internet resources platform, the implementation method of particularly a kind of based on network fluid physics and chemical property data resource platform.
Background technology
Fluid physics and chemical property data have important and application widely in derived energy chemical, oil, Aero-Space, biology and medicine and other fields.In many engineering designs and research field, all be unable to do without the physics and the chemical property data of fluid as the design of refrigeration system, heat interchanger, petroleum gas conveying and chemical machinery etc.In the substitution studies of CFC series cold-producing medium, the substitute of functional in order to filter out, more energy-conservation and environmental protection, need a large amount of cold-producing medium character datas and do the basis, particularly along with the application of more and more new working medium, the importance of the physics of fluid and chemical property data shows especially day by day.
Deepening continuously and develop along with scientific research, many new research fields and subject have been produced, this wherein has character data that many research need be correlated with to do the basis, as the material character under nano-fluid, biothermodynamics, bio-heat transfer and the nanoscale etc.In biotechnology research, the biological heat physical data is very crucial in the thermophysical research of biology with in using, because in the thermal model of all kinds of biological tissues, all include basic physical parameter the most such as thermal conductivity, thermal diffusivity, blood perfusion rate and metabolic rate, they are the prerequisites that disclose the heat transfer potential of biomaterial and heat-carrying capacity and further carry out the biological heat physical study.Existing studies show that, under nanoscale, very large difference is arranged under the character of material and the regular situation, add nano material in the fluid (nano-fluid), obvious variation can take place in the character of fluid, begin to attempt applied research in many occasions at present, so the character of fluid and the physics and the chemical property data of nano-fluid are the problems that need at first will solve under the nanoscale.In addition, aspect novel energy, hydrogen manufacturing relates to many many body system potpourris, the binary that needs each component and be made up of each component, the character of ternary or multicomponent mixture as supercritical water; In aerospace field, the various physics of liquid fuel and chemical property data are just indispensable.Can think that the physics of fluid and chemical property data are that the requisite basis of innovative research is carried out in many fields.
Through the long-term experimental study of researchist, the physics of a large amount of fluids and macroscopic property, equilibrium, critical characteristic parameter and the transport coefficient etc. that the chemical property experimental data comprises fluid have been accumulated at present, and on the basis of experimental data, summed up a large amount of experiences, semiempirical formula and chart, use for actual engineering.In the past, the most frequently used way is exactly that to calculate the physical parameter that obtains fluid by chart inquiry or formula not only loaded down with trivial details but also expend time in, and also requires to possess certain professional knowledge simultaneously, and general engineering technical personnel have been proposed higher requirement.The development of informationization technology is for the physics of fluid and chemical property development of database system, the new approach that provides is provided.
Many developed countries or have developed the physical properties of fluids Database Systems, present foremost physical properties of fluids Database Systems are by the Industrial Fluids andChemical Engineering physical data storehouse system of NIST (National Institute of Standards and Technology) research and development. and form by a plurality of subsystems, and in stand alone and network environment, all realized basic function.Wherein Thermophysical Properties of Fluid system has also tentatively realized the hot Calculation of Physical Properties of the network edition.The hot physical data of the DETHERM storehouse system of Germany includes the information (annotate: in January, 06 data) of 21000 kinds of pure matter and 101000 kinds of potpourris at present, both can inquire about on unit also and can inquire about by Internet.Under the DIPPR of american chemical IEEE (the American Institute of Chemical Engineers) (the Design Institute for Physical Property Data) plan was supported, many research institutions and university were also setting up the physical data storehouse based on Web.Yet, these databases are confined to test or the inquiry of computational data basically, the function that lacks molecular simulation, theoretical calculate and calculating, and usage charges are very expensive, with the DETHERM Database Systems is example, the data of its network inquiry are charged with the record quantity of inquiry, every record expense expense $14.23.In addition, up to the present, China is complete, powerful or perhaps fluid physics and chemical property Database Systems truly of neither one also, more do not have fluid physics and chemical property Database Systems based on Web.Therefore, as a kind of autonomous resource platform implementation method fully, the present invention has and has autonomous novelty.
Summary of the invention
The objective of the invention is to, the implementation method of a kind of fluid physics and chemical property data resource platform is proposed, this method is integrated the data and the resource of fluid physics and chemical property, utilization computer technology and network technology realize fluid physics and chemical property data resource to share by the mode of network system with B/S.
In order to realize above-mentioned task, the present invention proposes following technical solution:
The implementation method of a kind of based on network fluid physics and chemical property data resource platform is characterized in that, this method comprises:
1) acquisition methods of convection cell physical data is classified, source according to data is different with obtain manner, be divided into Calculation of Physical Properties data, molecular simulation data, rerum natura estimated data, rerum natura data query, and module is set up in process arrangement evaluation, deposit on the database server in the grid system, make it become the part of data resource platform;
Described rerum natura data query, Calculation of Physical Properties data, rerum natura estimated data, molecular simulation data are respectively:
The rerum natura data query is that a large amount of raw data that experiment obtains are collected the data that obtain after the evaluation, and data are with a high credibility;
The Calculation of Physical Properties data are on the experimental data basis, obtain computing formula by screening and match, and using formula calculates continuous and physical data that precision is higher;
Rerum natura estimated data is to utilize the material that experimental data is arranged, and according to the contribution of its each group to character, the various physics of novel substance and chemical property is calculated and is predicted that the fluid that is mainly no experimental data provides the estimated value of various physics and chemical property;
The molecular simulation data, be to provide on atom composition, molecular structure, molecular weight and the chemical bond information basis the user, adopt molecular dynamics and Monte Carlo analogy method, in conjunction with quantum-mechanical ab inito algorithm, utilize group system or supercomputer, the various physics and the chemical property of convection cell are simulated, and the fluid that is mainly no experimental data provides the estimated value of various physics and chemical property;
2) network rerum natura reckoning mode, fluid physics and chemical property data query mode, fluid physics and chemical property data computation mode and the fluid thermophysical property testing experimental system that will constitute above-mentioned Various types of data made a series of rerum natura programs that are suitable for network, be distributed in the grid node, realization through the network program interface provides interactively physical data obtain manner by the Web page for the user;
3) fluid physics and chemical property data resource platform are realized realizing communication between computational data and the Web server sharing by the mode of network system with B/S with the mode of CGI or Servlet+Socket+Applet mode.
The present invention realizes the molecular simulation of the network edition.Molecular simulation claims again " computer-experiment ", as with experimental science, pure science natural science applied the 3rd branch arranged side by side.Because molecular simulation has higher requirement to computational resource, need operate on the contour performance computing system of group system or supercomputer.To be the molecular simulation networking of support with the high-performance calculation resource, become popular simulation tool, conveniently obtain the physical properties of fluids simulated data.Have enormous social and commercial value.The present invention provides the molecular simulation data by the Servlet+Socket+Applet interface for the user.The user submits the information parameter that will simulate in list, can obtain dynamic analog result.
The present invention realizes the rerum natura estimation of the network edition.Experimental data acquisition particularly needs higher cost usually to the higher experimental data of precision and expends time in.Utilization has the similar substance of experimental data, according to the contribution of its each group to character, the various physics of novel substance and chemical property are calculated and predicted, thereby the rerum natura of obtaining novel substance is quite economical.Particularly the network of this estimation is realized then providing a kind of simple data obtain manner for users.The present invention is developed to a series of estimation programs that are suitable for network with evaluation method, and program is distributed in the grid node, sets up contact by the CGI interface with browser.Realize the B/S inquiry mode.
The present invention is directed to fluid physics and chemical property data and realize data query, satisfy the requirement of numerous scientific workers and engineering staff's convection cell physics and chemical property data.
The present invention is directed to the Calculation of Physical Properties of fluid physics and the chemical property data realization network edition,, can obtain the data of continuity point by computing formula with respect to experimental data.Computing formula is by after the great deal of experiment data screening, and match obtains the computing formula of degree of precision.Can satisfy scientific research personnel's needs.
The fluid thermophysical property testing experimental system is connected together by four modules in Internet and the resource platform, part as the notebook data resource platform, realize the dynamic issue of experimental data, the match of experiment parameter and dynamic load satisfy the requirement to real-time property.Along with the realization of fluid thermophysical property testing experimental system remote measurement, this implementation must have more and more important and practical meanings.
Description of drawings
Fig. 1 project totally constitutes synoptic diagram;
Fig. 2 fluid physics and chemical property data resource platform structural drawing;
Fig. 3 soft air CGI realizes result of calculation;
Fig. 4 servlet+socket+applet interface structure;
Fig. 5 Calculation of Physical Properties structural drawing;
Fig. 6 common compounds character is calculated and is submitted the page to;
Fig. 7 common compounds character is calculated result of calculation;
The dynamic display structure figure of Fig. 8 molecular simulation;
The page-rcut is submitted in Fig. 9 molecular simulation to;
Figure 10 molecular simulation operation result-rcut (1);
Figure 11 molecular simulation operation result-rcut (2);
Figure 12 rerum natura estimation structural drawing;
The page-joback method is submitted in the estimation of Figure 13 rerum natura to;
Figure 14 rerum natura estimation result-joback method;
Figure 15 rerum natura query structure figure;
The page-critical parameters character is submitted in the inquiry of Figure 16 physical properties of fluids to;
Figure 17 physical properties of fluids Query Result-critical parameters character
The present invention is described in further detail below in conjunction with accompanying drawing.
Embodiment
Different according to Data Source and obtain manner, platform of the present invention is divided into four modules, is respectively: Calculation of Physical Properties module, molecular simulation module, rerum natura estimation block, rerum natura enquiry module.Overall goal is on the basis of studying, the rerum natura resource being integrated at convection current body heat physical data, utilize Internet resources such as Internet, in conjunction with computer technologies such as network calculations technology, parallel computing, database technologys, adopt C, C++, Java supervisor development language, physics and the networking of chemical property data resource with fluid commonly used, realize physical data calculating, molecular dynamics simulation, physical data estimation and physical data query function, use for scientific research and engineering provide in time, comprehensively, the physical data of multi-angle.
The general structure of platform of the present invention such as Fig. 1, four modules are shared for the user by Internet.The fluid thermophysical property testing experimental system of Internet is inserted in addition in the data resource source of four modules except existing ample resources.Fig. 2 has shown the network structure of whole resource platform, has represented the position of fluid thermophysical property testing experimental system in whole resource platform.
Four functional modules that realized have embodied the classification to four kinds of physical data sources, i.e. Calculation of Physical Properties data, molecular simulation data, rerum natura estimated data and rerum natura data query.
The rerum natura enquiry module, be used for existing fluid physics and chemical property data are carried out taxonomic revision, deposit in and be distributed in as in the database server in the grid nodes such as ChinaGrid,, be mainly the user fluid physics and chemical property experimental data are provided for the user provides inquiry mode easily by the Web page; The data that this module provides are to obtain by a large amount of experiments, and data are with a high credibility.
The Calculation of Physical Properties module is utilized the accounting equation that has various physical properties of fluids now, develops a series of Calculation of Physical Properties program, is arranged on the calculation server in the grid, provides computational data by the interactively Web page for the user.
The data precision that this part provides can reach higher precision, can satisfy the needs to the higher scientific research personnel of data accuracy requirement, also is fit to the general engineering technology personnel certainly.This module comprises calculation server, Web server and the browser that operates on the network node, connect by Internet between them, to the difference that display mode requires, researched and developed two kinds of different modes and realized communication between computational data and the Web server according to data; A kind of is the mode of CGI, and another is the Servlet+Socket+Applet mode.
The rerum natura estimation block is utilized the similar substance that experimental data is arranged, and according to the contribution of its each group to character, the various physics of novel substance and chemical property is calculated and is predicted.Evaluation method is developed to the program that is fit to network, is arranged on the calculation server in the grid, provide the estimated data for the user by the interactively Web page.The fluid that this is mainly no experimental data provides the estimated value of various physics and chemical property.
The molecular simulation module, it comprises molecular dynamics simulation parallel algorithm program, Socket service routine, Web server and Web browser on the group of planes that operates in the network, connects by Internet between them; The various physics and the chemical property that are used for convection cell are simulated, and the fluid that is mainly no experimental data provides the analogue value of various physics and chemical property.Especially, the simulating reality environment the condition (as High Temperature High Pressure, earth external space environment etc.) that can not reach or need very big cost just can reach, precious reference data is provided.
At molecular simulation, claim again " computer-experiment ", as with experimental science, pure science natural science applied the 3rd branch arranged side by side.Because molecular simulation has higher requirement to computational resource, need operate on the contour performance computing system of group system or supercomputer.To be the molecular simulation networking of support with the high-performance calculation resource, become popular simulation tool, conveniently obtain the physical properties of fluids simulated data.Have enormous social and commercial value.The present invention provides the molecular simulation data by the Servlet+Socket+Applet interface for the user.The user submits the information parameter that will simulate in list, can obtain dynamic analog result.
At the rerum natura estimation, experimental data acquisition particularly needs higher cost usually to the higher experimental data of precision and expends time in.Utilization has the similar substance of experimental data, according to the contribution of its each group to character, the various physics of novel substance and chemical property are calculated and predicted, thereby the rerum natura of obtaining novel substance is quite economical.Particularly the network of this estimation is realized then providing a kind of simple data obtain manner for users.The present invention is developed to a series of estimation programs that are suitable for network with evaluation method, and program is distributed in the grid node, sets up contact by the CGI interface with browser.Realize the B/S inquiry mode.
At rerum natura inquiry and Calculation of Physical Properties.The rerum natura data query is directly from experiment, thereby has higher reliability.Through the long term studies accumulation, the data volume of experimental data is quite huge; Along with renewal, the increase of measurement automaticity of experimental measurement method and measurement means, reducing measuring period, and data will ceaselessly increase at faster speed, and data precision is also in progressively raising simultaneously.These data are concentrated taxonomic revision, be distributed in, adopt multi-layer C/S structure to realize network inquiry as in the database server in the grid nodes such as ChinaGrid.Can shorten the time that the user obtains data greatly like this, improve the quality of the data of being obtained.Present existing most Database Systems substantially all with data query as major part.
Under the framework of notebook data resource platform, the data of various piece also can constantly obtain replenishing perfect.
The physical data of four modules has different separately characteristics, and the intermodule procedure difference is bigger.Realize from network, require simple and convenient.The user submits to after the required parameter information, can obtain needed physical data.Therefore, the design of routine interface need be considered the otherness between each program.Guarantee good versatility, the extensibility of interface.Based on above-mentioned requirements, the present invention has realized two kinds of interfaces, and a kind of is the CGI mode; Another kind is the Servlet+Socket+Applet mode.
CGI is Common Gateway Interface (CGI (Common gateway interface)), and it is the interface of Web server calling external program.By this common gateway interface, server can send information to cgi script, and cgi script also can be to server loopback information.Can use any language compilation cgi scripts that can form executable program such as C Shell, Perl, C, C++, FORTRAN and database language.
The C/C++ language has the fast characteristics of travelling speed, is particularly suitable for doing numerical evaluation.
The difference of writing cgi script and common executable program with C Plus Plus mainly is and the standard input of Web server swapping data and the programming of standard output; And the realization of the standard of Web server swapping data input and standard output has also formed and browser between communication, for the networking of physical data realizes providing a kind of implementation.Concrete input mode realizes: be divided into two kinds of GET and POST, but GET mode transmission parameters is less than the 2K byte.Post can transmit bigger data volume.The CGI interface that the present invention realizes has been considered GET and two kinds of input modes of POST simultaneously.
Char*info=getenv (" QUERY_STRING "); //GET input
If (! Info) // if not the GET mode, then the POST mode is imported
{
char?tmpChar[300]；
Cin〉〉 tmpChar; //POST mode is imported
info＝tmpChar；
}
The realization of the CGI way of output: the form with HTML outputs to client, as:
......
cout<<”<html>”<<end1；
cout<<”<head>”<<end1；
Cout＜＜"＜title〉fluid physics and chemical property data resource platform-CGI output is for example
</title>”<<end1；
cout<<”</head>”<<end1；
cout<<”<body>”<<end1；
Cout＜＜" normal boiling point of water is: "＜＜Tb＜＜end1; //Tb is the data that computation process is returned.
cout<<”</body>”<<end1；
cout<<”</html>”<<endl；
......
Utilize the cgi script of C/C++ exploitation can not have influence on Calculation of Physical Properties itself, the physical data that program is obtained is exported with the form of HTML simultaneously, shows under user browser.Fig. 3 is the soft air Calculation of Physical Properties result that CGI realizes in the Calculation of Physical Properties module.
The input and output that cgi script brings do not influence program itself, can realize the communication with Web server simultaneously.Thereby good versatility is arranged, in four modules that the present invention realizes, this interface is all used in Calculation of Physical Properties, rerum natura estimation.
Another the interface Servlet+Socket+Applet mode that has realized is based on the JAVA technology, is mainly concerned with wherein Servlet mechanism, Socket communication, graphic presentation etc.Interface structure is seen Fig. 4, and Web server links up physical data calculation server in client, the grid node by Internet.Applet operates under the browser, the transmission of parameter, the reception of data and demonstration.Applet is stronger to the processing power of data, can realize demonstration, dynamic process, three-dimensional animation of graph image etc., satisfies the display requirement of several data, various ways.
Socket is a kind of passage of communication, can divide two kinds of implementations, connectionless UDP and connection-oriented TCP with data by sending in the specific end and receiving by it.What this interface adopted is connection-oriented TCP mode, to guarantee the reliable transmission of data.This interface divides Socket service routine and Socket client-side program.The Socket service routine runs on the data server end of intranodal, is responsible for monitoring the computation requests of sending from client Socket, simultaneously according to the corresponding rerum natura program of request call, result of calculation is sent to client Socket.
Monitor the part implementation algorithm:
while(true)
{
Socket=serverSocket.accept (); //serverSocket is service Socket
Output information: " accepting a socket connects "
// socket brought into and start computational threads.
Thread?work＝new?Thread(socket)；
work.start()；
}
Call calculation procedure part implementation algorithm:
The program of being called is had only a requirement, need be executable program only promptly, makes that like this applicable surface of interface is wider.Some valuable programs that realize with old program language just can not lose its value because of its program under the computer technology of bringing in constant renewal in like this.Its algorithm specific implementation is:
......
Command=getCommand (); // acquisition command parameter
Process p=runtime.exec (command); // carry out call instruction, return calling the control of process
P.getInputStream (); // obtain to calculate and export
......
To calculate output and send to client Socket
......
For the security setting of Java, Applet can not carry out communication with the Socket that runs on this machine computing machine in addition.The Servlet that operation of this Interface design operates in the Web server end is carrying a client Socket, as middle bridge, Socket on the data server and the Socket on the Web server is linked up; Be responsible for client be transferred to the data server end, the server end message transport to client.
Compare with CGI, Servlet+Socket+Applet mode structure more complicated, but universal better, stronger to the processing power of data presentation.In Calculation of Physical Properties in the present invention, the molecular simulation module application is arranged all.
Below the concrete function implementation of following four modules of this platform is set forth respectively.
1. Calculation of Physical Properties module
This module has been write the corresponding calculated program for the physics and chemical property (as PVT character, enthalpy, entropy, thermal capacitance, critical parameters, viscosity, the coefficient of heat conductivity etc.) accounting equation of some working medium commonly used (comprising cold-producing medium commonly used, water, air, simple gases, soft air, combustion gas etc.), the concrete application that the Calculation of Physical Properties program is calculated as science, be characterized in many iteration, use a large amount of mathematical library functions; Simultaneously, in conjunction with the characteristics of network calculations, realization is communicated by letter with network interface.Calculation procedure is arranged in is distributed in, by Web server, for the user provides the Calculation of Physical Properties service as on the calculation server in the grid nodes such as ChinaGrid.The user can provide the material and the corresponding calculated parameter of required calculating under browser, submit to calculation server, calculation server calculates according to user input parameters, and result of calculation is returned to the user with the form of the Web page, realizes the Calculation of Physical Properties function of networking.
This module operates under the unix system environment, calculation procedure uses the canonical function storehouse of C/C++, realize having good versatility with CGI interface and Servlet+Socket+Applet interface respectively according to data characteristic and demonstration needs, can be transplanted to easily under other operating systems.Comprise the calculation server, Web server and the Web browser that operate on the network node, Web server couples together Web browser and calculation server by Internet.Fig. 5 has represented the implementation procedure of Calculation of Physical Properties: the user sends to Web server with computation requests and parameter information under browser, Web server accepts request, selection is than idle node, send computation requests to the calculation server that operates on the grid node, the calculation services program is finished calculating, return computational data to Web server, Web server is handled the computational data from calculation server, shows on browser.
Fig. 6, Fig. 7 have shown the query page of Calculation of Physical Properties and display page as a result with the common compounds character in the Calculation of Physical Properties module.
2. molecular simulation module
The fluid that this module is mainly no experimental data provides the simulated data of various physics and chemical property.Providing on the material essential information bases such as atom composition, molecular structure, molecular weight and chemical bond, adopt molecular dynamics and Monte Carlo analogy method, in conjunction with quantum-mechanical ab inito algorithm, under as Network of Workstation and the contour performance computing environment of supercomputer, realize.
This platform has realized possessing based on network five kinds of molecular dynamics parallel algorithms of preliminary function, is respectively: the simulation of Pairware method molecule dynamic, the simulation of CGC method molecule dynamic, the simulation of R-CUT method molecule dynamic, the simulation of Verlet method molecule dynamic, Linkcell method.Parallel algorithm operates under the IBM RS6000 workstation cluster at present.Algorithm routine C/C++ language development.
This module comprises molecular dynamics simulation algorithm routine, Web server and the Web browser that operates under the group of planes workstation environment, and Web server couples together Web browser and group of planes workstation by Internet.Adopt the Servlet+Socket+Applet interface to realize networking.Fig. 8 has represented the implementation procedure of based on network molecular simulation: the user sends to Web server with material essential informations such as atom composition, molecular structure, molecular weight and chemical bonds under browser, Web server accepts request, processing parameter sends the molecular simulation request of calling.Socket service routine on group of planes workstation listens to the request from Web server, handle the process of request and beginning molecular simulation, the demonstration time interval of submitting to according to the user in the simulation process is dynamically returned simulated data, simulated data is handled by Web server, and the form with numeral, figure in the Applet of browser end is shown to the user.
Fig. 9, Figure 10, Figure 11 dynamically are shown as parameter submission and the analog result demonstration that example has shown molecular simulation with the molecular simulation of rcut.
3. rerum natura estimation block
This module is under known some physical property data conditions, utilizes the similar substance that experimental data is arranged, and according to the contribution of its each group to character, the various physics of novel substance and chemical property is calculated and is predicted.The program of evaluation method is used the C/C++ exploitation, realizes with the CGI interface mode.The user imports corresponding group information according to the Substance Properties that will inquire about.Comprise the calculation server, Web server and the Web browser that operate on the network node, Web server couples together Web browser and calculation server by Internet.Figure 12 has represented the implementation procedure of rerum natura estimation: the group information that the user will simulate under browser sends to Web server, Web server accepts request, selection is than idle node, send the estimation request to the server that operates on the grid node, the calculation services program is finished calculating, return computational data to Web server, Web server is handled the computational data from calculation server, shows on browser.
Figure 13, Figure 14 are estimated as example with the joback rerum natura and have shown the query page of rerum natura estimation and display page as a result.
4. rerum natura enquiry module
This module is that a large amount of raw data that the long-term experiment accumulation obtains are collected evaluation, after being classified, with the form centralized stores and the management of database.Comprise Web browser, Web server and database server.Adopt the JDBC interface that data are inquired about.Figure 15 has represented the implementation procedure of rerum natura inquiry: the Query Information that inquiry is submitted to the Web page is a starting point, sends query requests by network to Web server; Web server is distributed to database server according to idle degree in the network with query task; The result that database server will move returns to the user by Web server, shows in Web browser.
Claims (5)
1. the implementation method of based on network fluid physics and chemical property data resource platform is characterized in that this method comprises:
1) acquisition methods of convection cell physical data is classified, source according to data is different with obtain manner, be divided into Calculation of Physical Properties data, molecular simulation data, rerum natura estimated data, rerum natura data query, and module is set up in process arrangement evaluation, deposit on the database server in the grid system, make it become the part of data resource platform;
Described rerum natura data query, Calculation of Physical Properties data, rerum natura estimated data, molecular simulation data are respectively:
The rerum natura data query is that a large amount of raw data that experiment obtains are collected the data that obtain after the evaluation, and data are with a high credibility;
The Calculation of Physical Properties data are on the experimental data basis, obtain computing formula by screening and match, and using formula calculates continuous and physical data that precision is higher;
Rerum natura estimated data is to utilize the material that experimental data is arranged, and according to the contribution of its each group to character, the various physics of novel substance and chemical property is calculated and is predicted that the fluid that is mainly no experimental data provides the estimated value of various physics and chemical property;
The molecular simulation data, be to provide on atom composition, molecular structure, molecular weight and the chemical bond basis the user, adopt molecular dynamics and Monte Carlo analogy method, in conjunction with quantum-mechanical ab inito algorithm, utilize group system or supercomputer, the various physics and the chemical property of convection cell are simulated, and the fluid that is mainly no experimental data provides the estimated value of various physics and chemical property;
2) network rerum natura reckoning mode, fluid physics and chemical property data query mode, fluid physics and chemical property data computation mode and the fluid thermophysical property testing experimental system that will constitute above-mentioned Various types of data made a series of rerum natura programs that are suitable for network, be distributed in the grid node, realization through the network program interface provides interactively physical data obtain manner by the Web page for the user;
3) fluid physics and chemical property data resource platform are realized realizing communication between computational data and the Web server sharing by the mode of network system with B/S with the mode of CGI or Servlet+Socket+Applet mode.
2. the method for claim 1, it is characterized in that, described fluid thermophysical property testing experimental system is set up and is got in touch by Internet and rerum natura data query module, Calculation of Physical Properties data module, rerum natura estimated data's module, molecular simulation data module, part as data resource platform, as one of important source of four kinds of physical datas, in time provide the physical data or the current physical data of being badly in need of of novel substance.
3. the method for claim 1, it is characterized in that, the molecular dynamics parallel algorithm program that the molecular simulation module will operate under the cluster environment offers the user in the mode of B/S, the network operation and the graphic operation that utilize Java language to provide realize molecular simulation result's figure is dynamically shown, in the communication that guarantees to finish under a group of planes and the Web server independence condition separately between a group of planes and the Web server, the user submits atom composition, molecular structure, molecular weight and chemical bond information to, can obtain simulated data.
4. the method for claim 1 is characterized in that, described rerum natura estimation block provides the estimation inquiry service of B/S mode for the user.
5. the method for claim 1, it is characterized in that described Calculation of Physical Properties module is estimated through arrangement at the experimental data of fluid physics and chemical property, deposit on the database server in the ChinaGrid grid system, carry out interactive query to the user by the Web page; The rerum natura enquiry module is at the various equations of fluid physics and chemical property, and open series of computation program deposits on the calculation server in the ChinaGrid grid system. and calculate alternately to the user by the Web page, obtain computational data.
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|---|---|---|---|---|
| CN100447793C (en) * | 2007-01-10 | 2008-12-31 | 苏州大学 | Method for extracting page query interface based on character of vision |
| CN101329700B (en) * | 2008-05-22 | 2012-03-28 | 北京航空航天大学 | Method for simulating fluid flow |
| CN106529187B (en) * | 2016-11-25 | 2019-03-08 | 中国科学院计算机网络信息中心 | Embeded atom method calculation optimization method |
| CN111223519B (en) * | 2018-11-23 | 2023-06-13 | 中国石油化工股份有限公司 | System for determining basic physical property parameters of organic matters and application thereof |
| CN111324954B (en) * | 2020-02-18 | 2022-02-11 | 西安交通大学 | Method for judging ground visibility of lunar-based detection platform |
Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN1107231A (en) * | 1994-02-18 | 1995-08-23 | “生物技术”内部股份公司 | Device for measuring physical property of fluid |
| US6778100B2 (en) * | 2002-03-06 | 2004-08-17 | Automatika, Inc. | Conduit network system |
| CN2704893Y (en) * | 2004-06-02 | 2005-06-15 | 沧州市通用建材机械有限公司 | Magnetic fluid physic characteristic demonstrating devices |
-
2006
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Patent Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN1107231A (en) * | 1994-02-18 | 1995-08-23 | “生物技术”内部股份公司 | Device for measuring physical property of fluid |
| US6778100B2 (en) * | 2002-03-06 | 2004-08-17 | Automatika, Inc. | Conduit network system |
| CN2704893Y (en) * | 2004-06-02 | 2005-06-15 | 沧州市通用建材机械有限公司 | Magnetic fluid physic characteristic demonstrating devices |
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| CN1801166A (en) | 2006-07-12 |
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