The Flexible Rare Event Sampling Harness System (FRESHS)

We present the software package FRESHS (http://www.freshs.org) for parallel simulation of rare events using sampling techniques from the ‘splitting’ family of methods. Initially, Forward Flux Sampling (FFS) and Stochastic Process Rare Event Sampling (SPRES) have been implemented. These two methods together make rare event sampling available for both quasi-static and full non-equilibrium regimes. Our framework provides a plugin system for software implementing the underlying physics of the system of interest. At present, example plugins exist for our framework to steer the popular MD packages GROMACS, LAMMPS and ESPResSo, but due to the simple interface of our plugin system, it is also easy to attach other simulation software or self-written code. Use of our framework does not require recompilation of the simulation program. The modular structure allows the flexible implementation of further sampling methods or physics engines and creates a basis for objective comparison of different sampling algorithms.     

Deposition of calcium hydroxyapatite on negatively charged polyphosphazene surfaces

A number of polyphosphazenes with negatively charged β‐alanine (β‐Ala) and γ‐amino butyric acid (GABA) side groups were synthesized and studied for their ability to initiate the growth of hydroxyapatite (HAp) during exposure to simulated body fluid (SBF). All the polymers were hydrolytically sensitive, with the final hydrolysis rate dependent on the specific active side groups (GABA > β‐Ala). These systems also underwent extensive mineralization, with calcium phosphate deposited across their entire surface during exposure to SBF (up to 115 wt % gain after 4 weeks). This degree of deposition is a major advance over previously reported polyphosphazene systems, which underwent a maximum of 27 wt % gain after immersion in SBF for 4 weeks. The extent of mineralization over the surface was monitored using environmental scanning electron microscopy (ESEM) coupled with energy dispersive X‐ray spectroscopy (EDS). In addition, X‐ray diffraction (XRD) was used to determine the identity of the mineralized material. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41741.     

Conference news

RESOURCES: ENVIRONMENT AND POLICY, by John Fernie and Alan Pitkethly, Harper and Row, London, 1985, 338 pp. (#bp12.95, paperback)

THE ECONOMICS OF FORESTRY AND NATURAL RESOURCES, by Per‐Olov Johansson and Karl‐Gustaf Lofgren, Basil Blackwell, Oxford, 1985, 292 pp. (#bp29.50, hardback only)

ENVIRONMENTAL PROTECTION: STANDARDS, COMPLIANCE AND COSTS, edited by T. J. Lack, J. Wiley &; Son, Chichester, 1984, 329 pp. (#bp30, hardback)

ENVIRONMENT AND ENFORCEMENT: REGULATION AND THE SOCIAL DEFINITION OF POLLUTION, by K. Hawkins, Clarendon Press, Oxford, 1984, 253 pp. (#bp15 hardback; #bp6.95, paperback)

ENVIRONMENTAL POLICY, VOLUME 1: ELEMENTS OF ENVIRONMENTAL ANALYSIS, by George Tolley, Philip Graves and Glenn Blomquist, Ballinger, Cambridge, Mass, and Harper and Row, London, 1981. (#bp27.50, hardback)

ENVIRONMENTAL POLICY, VOLUME 4: SOLID WASTES, by George Tolley, Jospeh Havlicek and Robert Fabian, Ballinger, Cambridge, Mass. and Harper and Row, London, 1985. (#bp44.00, hardback)

World Health Organisation, ENVIRONMENTAL POLLUTION CONTROL IN RELATION TO DEVELOPMENT, World Health Organisation, Geneva, Technical Report Series, 718, 1985, 63 pp.

TRANSPORT IS FOR PEOPLE: NINTH INTERNATIONAL SYMPOSIUM ON THEORY AND PRACTICE IN TRANSPORT ECONOMICS, European Conference of Ministers of Transport, 1983, Paris (#bp15.00)

RECREATION MANAGEMENT AND PRICING, by A. G. Bovaird, M. J. Tricker and R. Stoakes, Gower Press, Aldershot, 1984, 182 pp. (#bp15, hardback)

URBAN LAND AND SHELTER FOR THE POOR, by Patrick McAuslan, Earthscan#shInternational Institute for Environment and Development, London, 1985, 145 pp.

CARING FOR THE UNEMPLOYED. Prepared for the Association of Metro‐polital Authorities by Susan Balloch, Chris Hume, Brian Jones and Peter Westland. Publishers: Bedford Square Press, London, 1985, for the National Council for Voluntary Organisations.

THE LONG‐TERM UNEMPLOYED. ACTION FOR A FORGOTTEN MILLION, by Peter Ashby (Head, NVCO Policy Analysis Unit). An NCVO Policy Discussion document, Bedford Square Press, London (1985).

ANTHROPOGENIC COMPOUNDS: Volume 3 Part C of The Handbook of Environmental Chemistry, edited by O. Hutzinger, Springer‐Verlag, Germany, 248 pp. 1986. (DM 188.00)

HEAVY METALS IN NATURAL WATERS: APPLIED MONITORING AND IMPACT ASSESSMENT, by James W. Moore and S. Ramamoorthy, Springer‐Verlag, U.S.A. and Germany, viii #pl 268 pages, index, 1984. (DM 108.00)

DESTRUCTION AND DISPOSAL OF PCBs BY THERMAL AND NON‐THERMAL METHODS, by D. G. Ackerman, L. L. Scinto, P. S. Bakshi, R. G. Delumyea, R. J. Johnson, G. Richard, A. M. Takata and E. M. Sworzyn. Noyes Data Corporation, Park Ridge, New Jersey, 1983, xiv #pl 417 pages (no index). (#dl48.00)

ELECTROSTATIC PRECIPITATOR MANUAL (Pollution Technology Review No. 91), by Jack R. McDonald and Alan H. Dean, Noyes Data Corporation, U.S.A., 1982. (#dl48.00)

PATTY'S INDUSTRIAL HYGIENE AND TOXICOLOGY, edited by Lewis J. Cralley and Lester V. Cralley, Volume 3 (2nd Edition)—Theory and Rationale of Industrial Hygiene Practice: (i) Volume 3A—The Work Environment (#bp97.20); (ii) Volume 3B—Biological Responses (#bp92.00) J. Wiley and Sons Ltd., Chichester U.K. 1985.

SAFE DRINKING WATER. THE IMPACT OF CHEMICALS ON A LIMITED RESOURCE, edited by R. G. Rice, J. Wiley and Sons, Chichester, U.K., Lewis Publishers Inc. Chelsea MI, 1985. (#bp36.00)

PLANTS FOR ARID LANDS. (Proceedings of the Kew International Conference on Economic Plants for Arid Lands held in the Jodrell Laboratory, Royal Botanic Gardens, Kew, England, 23‐27 July 1984), edited by G. E. Wickens, J. R. Goodwin and D. V. Field. George Allen and Unwin, London, 1985. (#bp30.00)

REGULATED RIVERS, edited by A. Lillehammer and S. J. Saltveit, Univer‐sitetsforlaget AS, Oslo, 1984. (#bp47.50)

NUTRIENT CYCLING IN TROPICAL FOREST ECOSYSTEMS, by C. F. Jordan, Wiley, Chichester, 1985. (#bp13.45)     

Reconstruction in Japan

County manufacturing employment can be projected for the purpose of verifying a population projection. First, future county manufacturing employment is derived from a population projection by using assumed ratios of labor force participation, unemployment, and manufacturing employment. Second, independent projections of manufacturing employment are made, based upon statistical projections of county and national manufacturing employment trends. Third, both these quantitative projections are checked against the knowledge and judgments of leading businessmen and industrialists in the community, and adjustments are made in the quantities.     

Nonsmooth model for dynamic simulation of phase changes

Dynamic modeling of processes involving phase changes can be challenging due to changes in the model equations caused by appearance and disappearance of equilibrium phases. Dynamic simulation of these processes requires the ability to detect the change in the number of phases and adapt the model to the new phase regime on the fly. In this work, an easy‐to‐use nonsmooth model for dynamic simulation of processes with vapor‐liquid equilibrium is presented. The presented model does not introduce any auxiliary variables or equations, nor does it require solution of an optimization problem to determine the new phase regime during the dynamic simulation. It can therefore be used for comprehensive simulation of, e.g., distillation columns, where the number of phases present can change during startup and shutdown. The nonsmooth model is illustrated through examples of an evaporator and a distillation column. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3334–3351, 2016     

Automatic Absorbance Calibration Routine for a Computerized Uv-Visible Rapid Scanning Spectrophotometer

Sir:

A Fortran IV computer program is used to calculate absorbance at varying wavelengths in a UV-visible rapid scanning spectrophotometer. Using the program eliminates the necessity of calibrating the absorbance axis in the usual manner using standard solutions or filters and plotting calibration curves, because the voltage output of the computer is automatically identical to the actual absorbance of a sample.