Computers FORTRAN

Table 5,14 gives a digital computer FORTRAN program for this three-component batch distillation dynamic simulation. The specific example is a column with 20 trays and relative volatilities of 9, 3, and 1. The vapor flow rate is constant at 100 mol/h. 

Ball, J. W., Nordstrom, D. K. Zachman, D. K. 1987. WATEQ4F - A Personal Computer FORTRAN Translation of the Geochemical Model WATEQ2 With Revised Database. US Geological Survey, Open-file report 87-50. US Geological Survey, National Center, Reston, VA. 

Ball J. W. and Nordstrom D. K. (1987) WATEQ4F—a Personal Computer Fortran Translation of the Geochemical Model WATEQ2 with Revised Data Base. US Geol. Surv. Open-File Report, 50-87. 

Press, W.H., Flannery, B.P., Teukolsky, S.A. and Velyerling, W.T. (1992), Numerical Recipes - The Art of Scientific Computing (FORTRAN version) , Cambridge University Press, Cambridge. 

Example 7-4 Instead of specifying Lx and D for Example 2-7, modify this example by taking the two additional specifications to be the reflux ratio Ll/D = 2.0 and the boilup ratio VN/B= 1.80585. When these particular values for the reflux ratio and the boilup ratio are selected, the corresponding final solution is the same as the one shown in Tables 2-3 through 2-5. For this pair of additional specifications, nine iterations were required and 1.26 seconds of computer time (AMDAHL 470 V/6 computer, FORTRAN H EXTENDED). The convergence characteristics exhibited by this example for this version of the 0 method are shown in Table 7-12. 

W. Press, B. Flannery, S. Teukolsky, and W. Vetterling Numerical Recipes The Art of Scientific Computing (Fortran Version. Cambridge University Press, Cambridge, U.K. 1989. 

A major compilation of procedures and computer programs for scientific and engineering calculations is Press et air, the text of older editions of this book is available free on the Internet at www.nr.com. For comments on older editions of this book, see amath. colorado.edu/computing/Fortran/numrec.html. 

Press, W. H. Flannery, B. P. Teukolsky, S. A. Vetterling, W. T. Numerical recipes the art of scientific computing (Fortran version)-, Cambridge University Press Cambridge, 1989. 

The calculation of vapor and liquid fugacities in multi-component systems has been implemented by a set of computer programs in the form of FORTRAN IV subroutines. These are applicable to systems of up to twenty components, and operate on a thermodynamic data base including parameters for 92 compounds. The set includes subroutines for evaluation of vapor-phase fugacity... 

The computation of pure-component and mixture enthalpies is implemented by FORTRAN IV subroutine ENTH, which evaluates the liquid- or vapor-phase molar enthalpy for a system of up to 20 components at specified temperature, pressure, and composition. The enthalpies calculated are in J/mol referred to the ideal gas at 300°K. Liquid enthalpies can be determined either with... 

This computation procedure has been implemented by FORTRAN IV subroutine BLIPS, which is described and listed in Appendix G. This subroutine provides for designation of "solvent" components if not designated, they are determined internally. 

The computer subroutines for calculation of vapor-phase and liquid-phase fugacity (activity) coefficients, reference fugac-ities, and molar enthalpies, as well as vapor-liquid and liquid-liquid equilibrium ratios, are described and listed in this Appendix. These are source routines written in American National Standard FORTRAN (FORTRAN IV), ANSI X3.9-1978, and, as such, should be compatible with most computer systems with FORTRAN IV compilers. Approximate storage requirements and CDC 6400 execution times for these subroutines are given in Appendix J. 

The subroutines PARIN and PARCH are source routines written in American National Standard FORTRAN (FORTRAN IV), ANSI X3.9-1978, and should be compatible with most computer systems where input can be taken from logical unit 3. 

The programs DRFLA for vapor-liquid and DRELI for liquid-liquid calculations are written in FORTRAN IV source language for the CDC 6400 of the Computer Center, University of California, Berkeley. Minor modifications, mostly with regard to input and output, will be required for implementation on most other computer systems. 

The program storage requirements will depend somewhat on the computer and FORTRAN compiler involved. The execution times can be corrected approximately to those for other computer systems by use of factors based upon bench-mark programs representative of floating point manipulations. For example, execution times on a CDC 6600 would be less by a factor of roughly 4 than those given in the tcible and on a CDC 7600 less by a factor of roughly 24. 

D. W. Noid, B. G. Sumpter, B. Wunderlich and G. A. Pfeffer, Molecular dynamics simulations of polymers Methods for optimal Fortran programming , J. Comput. Chem., 11(2), 236-241, 1990. 

In order to balance public domain science with a high quality commercial software product it has been necessary for us to reimplement almost every aspect of computational chemistry embodied in HyperChem. All HyperChem source code is written in C or C-t-t, specified, designed, and implemented by Hyper-Chem s developers. We have stood on the scientific shoulders of giants, but we have not used their FORTRAN code Thus, although we have had access to MOPAC and other public domain codes for testing and other purposes, HyperChem computes MINDO, MNDO, and AMI wave functions, for example, with HyperChem code, not MOPAC code. We have made the effort to implement modern chemical science in a modern software-engineered product. 

This big increase in speed has not been without cost. The everyday machine codes and high-level languages (Fortran, Pascal, C, etc.) used to control operations in a standard computer are inappropriate for parallel processing, which needs its own instruction set and has led to the development of special languages for use with the transputer. 

Software programs are usually written in a more user-friendly high-level language such as Fortran, Pascal, or C, which facilitates the tedious and labor-intensive task of writing a computer program. 

R. D. McCarty, Interactive FORTRAN Programs for Micro Computers to Calculate the Thermo Physical Properties of Twelve Fluids [MIPROPS], NBS Technical... 

R. D. McCarty, Interactive FORTRAN IN Computer Programsfor the Thermodynamic andTransport Properties of Selected Cyogens fluids Pacl, NBS technical note 1025, U.S. Dept, of Commerce, Washington, D.C., 1980. 

Seeing the success of the UNAMAP BBS, EPA s Office of Air Quality Planning and Standards started a BBS for information on regulatory models in June 1989. This has expanded to a BBS called TTN, Technology Transfer Network. This BBS, in Durham, NC, is reached on (919) 541-5742 and the system operator on (919) 541-5384. A part of this BBS called SCRAM, Support Center for Regulatory Air Models, contains model FORTRAN codes, model executable codes for use on personal computers, meteorological data, and in some cases model user s guides. Much of the information is downloaded in "packed" form, and software to unpack the files must also be downloaded from the bulletin board. 

Sponsor/Developing OrgankfUion Department of Defense, Civil and Environmental Engineering Development Office, Tyndall Air Force Base, Panama City, Florida, 32403. Computer The code is 200 lines of FORTRAN, hence, it should compile and run on most PC. Cost. Unknown. 

Sponsor/Developing Organization Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, Custodian Marcel Ballinger, Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352. Phone (509) 373-6715 Computer The original code was written in FORTRAN, to run on a VAX minicomputer, but can be rewritten to run on most any platform. Cost None. 

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