FORTRAN programs

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. 

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

On page 235-241 is the explicit solution used in Excel format to make studies, or mathematical experiments, of any desired and possible nature. The same organization is used here as in previous Excel applications. Column A is the name of the variable, the same as in the FORTRAN program. Column B is the corresponding notation and Column C is the calculation scheme. This holds until line 24. From line 27 the intermediate calculation steps are in coded form. This agrees with the notation used toward the end of the FORTRAN listing. An exception is at the A, B, and C constants for the final quadratic equation. The expression for B was too long that we had to cut it in two. Therefore, after the expression for A, another forD is included that is then included in B. 

Dr. Coker has authored Fortran Programs for Chemical Process Design, Analysis and Simulation, and written a topie seetion in the Encyclopedia of Chemical Processing and Design (Vol. 61). He has direeted and eondueted short eourses for Proeter Gamble in the U.K., Saudi Basie Industries Corporation (SABIC) and Saudi Arameo Shell Refinery Company (SASREE) in Saudi Arabia. His artieles have been published in several international journals. 

Figure 12.4-1 shows the sequence of actions. Selections from FTAPSUIT are in the left column. The right column uses three selections from FTAPLUS and the rest are from the previous FORTRAN programs. Although the suite of programs can be run from the floppy disk, for reasons of speed and problem size, it is recommended to run from a hard disk. In DOS, type MD directory name, enter, and cdV directory name, enter. Type copy a . and the disk will be copied to that directory. Type FTAPSUIT and the screen shown in Figure 12.4-2 is presented. 

Table II contains a rough comparison of execution times for the generation of one data point 6x10 random conformations of chains of 100 mass-points were placed each at 100 equally spaced radial positions of a pore with Aq=0.8. It is obvious that the increase in performance, i.e., a reduction in execution time to 20%, is an excellent return on the investment required to change five lines of a FORTRAN program. We fear, however, that this is a relatively rare situation.

Equation 17.10 can now be used to obtain the two unknown parameters (kLa and Cq2 ) by fitting the data from the gassing-in period of the experiment. Indeed, using the Gauss-Newton method with an initial guess of (10, 10) convergence is achieved in 7 iterations as shown in Table 17.6. There was no need to employ Marquardt s modification. The FORTRAN program used for the above calculations is also provided in Appendix 2. 

In the dialyzed batch start-up phase and the subsequent continuous operation a substantial increase in viable cell density and monoclonal antibody (MAb) titer was observed compared to a conventional suspension culture. The raw data, profiles of the viable cell density, viability and monoclonal antibody titer during the batch start-up and the continuous operation with a dialysis flow rate of 5 L/d are shown in Figures 17.6 and 17.7. The raw data are also available in tabular form in the corresponding input file for the FORTRAN program on data smoothing for short cut methods provided with the enclosed CD. 

In this case besides the integral of Xv, the integral of MAb titer must also be computed. Obviously the same FORTRAN program used for the integration of Xv can also be used for the computations (see Appendix 2). The results by the integral method are shown in Figures 17.12 and 17.13. 

Redfield, J. A., 1965, CHIC-KIN, A Fortran Program for Intermediate and Fast Transients in a Water Moderated Reactor, USAEC Rep. WAPD TM-479, Westinghouse Electric Corp., Pittsburgh, PA. (5)... 

The automated pesticide runoff model consists of a set of FORTRAN programs which calculate the amount of pesticide runoff from input of river basin data, rainfall data, pesticide characteristics, and application data. Table I shows the input requirements for the SWRRB model. Table II shows the output data from the SWRBB model. 

The automated EXAMS model consists of a set of FORTRAN programs which calculates the fate, exposure and dissipation of the chemical from input environmental data such as 1) Global parameters (rainfall, irradiance, latitude), 2) Biological parameters (biomass, bacterial counts, chlorophyll), 3) Depths and in-lows, 4) Sediment characteristics, 5) Wind, 6) Evaporation, 7) Aeration, 8) Advective and turbulent interconnections, 9) Water flow, 10) Sediment flow, 11) pH and pOH, and 12) Temperature. Also characteristics of the chemical are taken into account such as hydrolysis photolysis, oxidation, biolysis, and volatility. 

K.S. Crump and W.W. Wilson. "A FORTRAN Program to Extrapolate Dichotomaus Animal Carcinogenicity Data to Low Dose." National Institute of Environmental Health Sciences. Contract No. l-ES-2123. August, 1979. 

A set of FORTRAN programs written specifically for the Instrument 1s available to aid in setting up an experiment, running the... 

An Instron Tensile Tester Model TM was Interfaced to a micro-computer for data collection and transmission to a minicomputer. A FORTRAN program was developed to allow data analysis by the minicomputer. The program generates stress-strain curves from the raw data, calculates physical parameters, and produces reports and plots. 

Some of the tasks performed by the menu selections invoke utility programs that are supplied with the computer s operating system, while other tasks are FORTRAN programs written specifically for our application. 

McCalla, T. R., "Introduction to Numerical Methods and FORTRAN Programming", Wiley Sons, New York, 1967, 341. 

The ellipsometer used in this study is described elsewhere(3). It consists of a Xenon light source, a monochromator, a polarizer, a sample holder, a rotating analyzer and a photomultiplier detector (Figure 1). An electrochemical cell with two windows is mounted at the center. The windows, being 120° apart, provide a 60° angle of incidence for the ellipsometer. A copper substrate and a platinum electrode function as anode and cathode respectively. Both are connected to a DC power supply. The system is automated with a personal computer to collect all experimental data during the deposition. Data analysis is carried out by a Fortran program run on a personal computer. 

Bischof, C. A. Carle G. Corliss A. Griewank et al. ADIFOR Generating Derivative Codes for Fortran Programs. Preprint MCS-P263-0991, Argonne National Lab. (1992). 

Gill, P., Murray, W. A., Saunders, M. A., and Wright, M. H. (1986). User Guide for NPSOL (Version 4.0) a FORTRAN Program for Nonlinear Programming, Tech. Rep. SOL 86-2. Standford University, Department of Operation Research, Standford, CA. 

Steward s algorithm, thus, can help locate errors in formulating a model of a process by identifying the set of equations that contains improperly specified design variables or parameters. The fortran program listed in Appendix A prints out the equation numbers in the subset that contains fewer variables than equations when an output set cannot be found. 

Steward s algorithm has proved to be quite efficient and easily programmed on a digital computer. The fortran program listed in Appendix A employs Steward s algorithm to accomplish the partitioning. 

The FORTRAN program ARTHUR (Harper et al. 1977)—running on main frame computers at this time—comprised all basic procedures of multivariate data analysis and made these methods available to many chemists in the late 1970s. 

Lutz, E. Kee, R. J. and Miller, J. A. SENKIN A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics with Sensitivity Analysis , Sandia National Laboratories Report 87-8248, 1988. 

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